5p-Block Double-Zeta Basis Set Archive ===================================== Date: 03 May 2012 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (1998) 99:366; addendum Theor. Chem. Acc. (2002) 108:365; revision Theor. Chem. Acc. (2006) 115:441. Basis sets available from the Dirac web site, http://dirac.chem.sdu.dk. For the 3d core correlating functions, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2012) 131, 1217. DOI: 10.1007/s00214-012-1217-8. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the double-zeta basis sets described in the above articles. NOTE: Functions are counted from the function with the smallest exponent to the largest. The SCF exponent sets were generated as follows: * Optimization of the s, p, and d sets separately, on the total energy of the configuration average of the s^2 p^n configurationn, to yield a 21s 15p 10d set. * Addition of the valence correlating d exponent to the d set and reoptimization of the other 10 d exponents, with the correlating d exponent fixed The resulting primitive basis set is a 21s 15p 11d set. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating exponents were generated as follows * A d exponent for 5s5p correlation was optimized in MR-SDCI calculations on the ground configuration, with the outermost s exponent and p exponent from the SCF set included in the correlating space and held fixed. (These are the optimal s and p correlating exponents from the SCF set.) * An f exponent for 4d correlation was optimized in MR-SDCI calculations on the ground configuration, with double excitations from the 4d shell into the f shell coupled to J=0. * An f exponent for 3d correlation was optimized in MR-SDCI calculations on the ground configuration, with double excitations from the 3d shell into the f shell coupled to J=0. The diffuse exponent sets were generated as follows. * An s exponent and a p exponent were optimized in SCF calculations on the negative ion for In - I, with the remaining s and p exponents fixed * A d exponent was optimized in MR-SDCI calculations on the negative ion for In - I, with the correlating s, p, and d set and the diffuse sp set included in the correlating space, i.e. a 2s2p2d set. * The s, p, and d exponents were extrapolated in a geometric sequence from Te and I for Xe. The exponents for 4d dipole polarization were generated as follows: * A polarizing f exponent was optimized on the polarizability of the 4d shell with 4d -> f excitations in the perturbing space. The archive is set out as follows. 1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the small component functions. Both components are labelled with the large component symmetry type, but the primitive functions for the small component are those obtained by restricted kinetic balance from the large component. The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for j=l+1/2. 2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave functions, in order of Z. The large component functions are given first, followed by the pseudo-large component functions, then the Foldy-Wouthuysen transformed large component functions. Note that all components have the same symmetry type. 3. Exponents of diffuse s, p, and d functions. 4. Exponents of core polarizing f functions. 5. Exponents of correlating functions. Basis set construction. ---------------------- Several different types of basis sets may be constructed by adding primitive functions to the SCF set. These basis sets are described below. NOTE: Functions are counted from the function with the smallest exponent to the largest. 1. Valence (equivalent to cc-pvdz). To the SCF occupied set, add the following: 1st s primitive from the SCF set 1st p primitive from the SCF set 1st d primitive from the SCF set (correlating d) (HF + 1s1p1d valence) 2. Core-valence. To basis set 1, add the following: 3rd s primitive from the SCF set 3rd p primitive from the SCF set 2nd d primitive from the SCF set core correlating 1f function. (HF + 1s1p1d valence + 1s1p1d1f core) 3. Dipole polarization of the (n-1)d shell. To basis set 2, add the polarizing f exponent. (HF + 1s1p1d valence + 1s1p1d2f core) 4. Diffuse basis: add the diffuse s, p, and d functions to any of the above basis sets. Dirac-Hartree-Fock basis sets ============================= ** In 115 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.4738592E+07 4.1295749E-05 -1.4134654E-05 6.2157221E-06 -2.6686588E-06 7.4204789E-07 2 7.8474695E+06 1.3733544E-04 -4.7138981E-05 2.0727447E-05 -8.9055781E-06 2.4768256E-06 3 1.8184515E+06 4.0253410E-04 -1.3880316E-04 6.1119055E-05 -2.6237369E-05 7.2950453E-06 4 4.9216005E+05 1.1281159E-03 -3.9106483E-04 1.7212886E-04 -7.4013348E-05 2.0588915E-05 5 1.5018349E+05 3.1321317E-03 -1.0940874E-03 4.8289870E-04 -2.0723023E-04 5.7609226E-05 6 5.0383060E+04 8.6159296E-03 -3.0321415E-03 1.3365363E-03 -5.7545973E-04 1.6013794E-04 7 1.8278359E+04 2.3112246E-02 -8.2518042E-03 3.6565759E-03 -1.5684674E-03 4.3592691E-04 8 7.0794732E+03 5.8851497E-02 -2.1497696E-02 9.5180689E-03 -4.1079257E-03 1.1438322E-03 9 2.8975626E+03 1.3559759E-01 -5.2348601E-02 2.3495482E-02 -1.0085267E-02 2.8027081E-03 10 1.2424679E+03 2.6044126E-01 -1.1200063E-01 5.0731500E-02 -2.2058245E-02 6.1520349E-03 11 5.5388025E+02 3.5354435E-01 -1.9133082E-01 9.0862928E-02 -3.9248109E-02 1.0912121E-02 12 2.5331624E+02 2.5191799E-01 -1.7264498E-01 8.4598474E-02 -3.8136543E-02 1.0727902E-02 13 1.0901455E+02 5.0089558E-02 1.9023359E-01 -1.1837628E-01 5.7473127E-02 -1.6423973E-02 14 5.3740594E+01 -4.8979168E-03 5.9202414E-01 -5.2105976E-01 2.5058309E-01 -7.0810828E-02 15 2.6474538E+01 2.5472049E-03 3.5967254E-01 -3.5464608E-01 2.0331607E-01 -6.0194422E-02 16 1.1318566E+01 -1.2516762E-03 3.8370126E-02 6.6320722E-01 -5.2954872E-01 1.6654695E-01 17 5.6069504E+00 5.9626941E-04 -3.7057763E-03 6.5504883E-01 -7.1381324E-01 2.3246755E-01 18 2.0379705E+00 -2.1644525E-04 9.4290683E-04 5.6398078E-02 7.5528367E-01 -3.3345817E-01 19 8.9763757E-01 8.8595957E-05 -4.4648985E-04 -6.0613390E-03 6.6963749E-01 -4.1240022E-01 20 1.7038742E-01 -2.0645323E-05 9.1176579E-05 1.3615252E-03 2.3048543E-02 6.6241400E-01 21 6.3036323E-02 8.6538845E-06 -3.8048742E-05 -5.5019441E-04 -6.0545645E-03 5.3488092E-01 2p- 3p- 4p- 5p- 1 1.5281163E+05 4.7954253E-04 -2.1917873E-04 8.9863799E-05 -1.8219746E-05 2 2.3110286E+04 1.7315510E-03 -7.9289110E-04 3.2475989E-04 -6.5895242E-05 3 5.4831530E+03 6.3926271E-03 -2.9463296E-03 1.2122317E-03 -2.4557932E-04 4 1.6924998E+03 2.4171724E-02 -1.1251970E-02 4.6127725E-03 -9.3745107E-04 5 6.1634289E+02 8.2488148E-02 -3.9467502E-02 1.6385807E-02 -3.3193544E-03 6 2.5022695E+02 2.2039071E-01 -1.1015665E-01 4.5670609E-02 -9.3104568E-03 7 1.0897990E+02 3.9210017E-01 -2.1028766E-01 8.9861926E-02 -1.8216263E-02 8 4.9652929E+01 3.5768551E-01 -1.6164448E-01 6.2382652E-02 -1.2832717E-02 9 2.2431192E+01 1.0569969E-01 2.6667853E-01 -1.5031347E-01 3.2604133E-02 10 1.0455260E+01 9.3675696E-04 6.0347792E-01 -4.0100178E-01 8.5144188E-02 11 4.9364717E+00 2.0270511E-03 2.6400094E-01 -1.2058794E-02 -1.3085679E-03 12 2.0840617E+00 -8.5224924E-04 1.6350276E-02 6.8604359E-01 -1.9357047E-01 13 8.3843103E-01 2.3066517E-04 5.3719139E-04 4.3486254E-01 -1.0082831E-01 14 1.8829216E-01 -6.4042675E-05 1.0241321E-06 2.2282464E-02 4.6900620E-01 15 5.5011528E-02 2.2237168E-05 -7.8115953E-07 -3.4796977E-03 6.6160042E-01 2p+ 3p+ 4p+ 5p+ 1 1.5281163E+05 2.7283241E-05 -1.2622860E-05 5.1894961E-06 -1.0361107E-06 2 2.3110286E+04 3.6943094E-04 -1.7087993E-04 6.9613171E-05 -1.3937129E-05 3 5.4831530E+03 2.9936655E-03 -1.3931827E-03 5.7334042E-04 -1.1449080E-04 4 1.6924998E+03 1.6704381E-02 -7.8333072E-03 3.1999770E-03 -6.4084843E-04 5 6.1634289E+02 6.8207627E-02 -3.2833522E-02 1.3603364E-02 -2.7185768E-03 6 2.5022695E+02 2.0097992E-01 -1.0099536E-01 4.1749134E-02 -8.3792216E-03 7 1.0897990E+02 3.8414069E-01 -2.0754154E-01 8.8425853E-02 -1.7707705E-02 8 4.9652929E+01 3.7897922E-01 -1.8604209E-01 7.3934146E-02 -1.4897188E-02 9 2.2431192E+01 1.2497419E-01 2.2360338E-01 -1.2648929E-01 2.6853371E-02 10 1.0455260E+01 1.9651861E-03 6.0760083E-01 -3.9928972E-01 8.4042530E-02 11 4.9364717E+00 2.4943797E-03 2.9772680E-01 -6.3615666E-02 9.8252994E-03 12 2.0840617E+00 -1.0633484E-03 2.1999307E-02 6.6000316E-01 -1.7881564E-01 13 8.3843103E-01 2.9843439E-04 4.3587489E-04 4.7965368E-01 -1.2326186E-01 14 1.8829216E-01 -8.1999111E-05 5.1798373E-05 3.0410960E-02 4.2410845E-01 15 5.5011528E-02 2.8517261E-05 -1.7786081E-05 -5.1250845E-03 7.0402488E-01 3d- 4d- 1 1.2160457E+03 1.3131771E-03 -4.6700084E-04 2 3.4956673E+02 1.0582626E-02 -3.8162509E-03 3 1.3184552E+02 5.1678402E-02 -1.8637788E-02 4 5.6284409E+01 1.6456628E-01 -6.0920839E-02 5 2.5731221E+01 3.3418252E-01 -1.2119504E-01 6 1.2090868E+01 4.0653657E-01 -1.3803678E-01 7 5.7582557E+00 2.3082742E-01 3.6788591E-02 8 2.6104024E+00 3.9658679E-02 3.6680008E-01 9 1.1246612E+00 3.3473249E-04 4.7622832E-01 10 4.5107930E-01 2.9898545E-04 2.7779293E-01 11 1.5088292E-01 -7.6149804E-05 4.1340812E-02 3d+ 4d+ 1 1.2160457E+03 9.9485236E-04 -3.5120652E-04 2 3.4956673E+02 9.5167499E-03 -3.4117531E-03 3 1.3184552E+02 4.9033249E-02 -1.7570660E-02 4 5.6284409E+01 1.6014589E-01 -5.8922150E-02 5 2.5731221E+01 3.3025841E-01 -1.1922764E-01 6 1.2090868E+01 4.0855461E-01 -1.3880153E-01 7 5.7582557E+00 2.3699730E-01 2.9625503E-02 8 2.6104024E+00 4.1907017E-02 3.5778634E-01 9 1.1246612E+00 3.6366649E-04 4.7707406E-01 10 4.5107930E-01 3.2868850E-04 2.8819954E-01 11 1.5088292E-01 -8.3332560E-05 4.5742997E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.4738592E+07 -9.0818450E-05 3.1028948E-05 -1.3649767E-05 5.8554023E-06 -1.6277289E-06 2 7.8474695E+06 -3.3907864E-04 1.1578143E-04 -5.0843059E-05 2.1858240E-05 -6.0805335E-06 3 1.8184515E+06 -8.7452224E-04 2.9897119E-04 -1.3156621E-04 5.6419270E-05 -1.5682123E-05 4 4.9216005E+05 -2.0312609E-03 6.9424477E-04 -3.0478380E-04 1.3110368E-04 -3.6476659E-05 5 1.5018349E+05 -4.3349805E-03 1.4861093E-03 -6.5453730E-04 2.8054280E-04 -7.7965510E-05 6 5.0383060E+04 -8.6713006E-03 2.9812598E-03 -1.3092680E-03 5.6367410E-04 -1.5686859E-04 7 1.8278359E+04 -1.6252356E-02 5.6552288E-03 -2.4978173E-03 1.0701835E-03 -2.9735935E-04 8 7.0794732E+03 -2.8296744E-02 1.0061623E-02 -4.4372779E-03 1.9143017E-03 -5.3301339E-04 9 2.8975626E+03 -4.4178581E-02 1.6609509E-02 -7.4292412E-03 3.1859496E-03 -8.8520641E-04 10 1.2424679E+03 -5.7488871E-02 2.4108413E-02 -1.0883632E-02 4.7298957E-03 -1.3190773E-03 11 5.5388025E+02 -5.3122526E-02 2.8090803E-02 -1.3303967E-02 5.7430668E-03 -1.5965535E-03 12 2.5331624E+02 -2.5858557E-02 1.7428210E-02 -8.5354633E-03 3.8466393E-03 -1.0819851E-03 13 1.0901455E+02 -3.3879162E-03 -1.2415993E-02 7.6845027E-03 -3.7298673E-03 1.0659059E-03 14 5.3740594E+01 2.3310846E-04 -2.7465501E-02 2.4091402E-02 -1.1579126E-02 3.2717676E-03 15 2.6474538E+01 -8.4917782E-05 -1.1728894E-02 1.1549027E-02 -6.6202572E-03 1.9598922E-03 16 1.1318566E+01 2.7239553E-05 -8.2074878E-04 -1.4092144E-02 1.1244767E-02 -3.5361696E-03 17 5.6069504E+00 -9.1284692E-06 5.6730786E-05 -9.8104833E-03 1.0684706E-02 -3.4796616E-03 18 2.0379705E+00 1.9905061E-06 -8.9292744E-06 -5.0859932E-04 -6.8137991E-03 3.0079090E-03 19 8.9763757E-01 -5.3812503E-07 2.8399386E-06 3.6088717E-05 -4.0098912E-03 2.4693214E-03 20 1.7038742E-01 5.3705403E-08 -2.7519559E-07 -3.5001514E-06 -6.0136624E-05 -1.7279915E-03 21 6.3036323E-02 -1.3376860E-08 7.6755234E-08 8.4956761E-07 9.6097775E-06 -8.4869758E-04 2p- 3p- 4p- 5p- 1 1.5281163E+05 -1.4502197E-04 6.6487991E-05 -2.7335410E-05 5.5362231E-06 2 2.3110286E+04 -6.5953985E-04 3.0266122E-04 -1.2375011E-04 2.5139673E-05 3 5.4831530E+03 -2.2996956E-03 1.0623111E-03 -4.3785722E-04 8.8643419E-05 4 1.6924998E+03 -6.5838340E-03 3.0668425E-03 -1.2565448E-03 2.5546548E-04 5 6.1634289E+02 -1.5351938E-02 7.3494208E-03 -3.0525478E-03 6.1827153E-04 6 2.5022695E+02 -2.7450798E-02 1.3730266E-02 -5.6922307E-03 1.1605460E-03 7 1.0897990E+02 -3.2851797E-02 1.7647098E-02 -7.5439238E-03 1.5292286E-03 8 4.9652929E+01 -2.0310387E-02 9.2186975E-03 -3.5611794E-03 7.3276732E-04 9 2.2431192E+01 -3.9283141E-03 -1.0310929E-02 5.8027050E-03 -1.2584329E-03 10 1.0455260E+01 5.9295619E-05 -1.5928693E-02 1.0577983E-02 -2.2459144E-03 11 4.9364717E+00 2.0147416E-05 -4.7920667E-03 2.2530028E-04 2.2151552E-05 12 2.0840617E+00 3.8518999E-05 -1.9442688E-04 -8.0768786E-03 2.2790273E-03 13 8.3843103E-01 1.9519029E-05 -5.3579957E-06 -3.2463991E-03 7.5285999E-04 14 1.8829216E-01 9.3038152E-06 -5.6878921E-07 -7.7798081E-05 -1.6605527E-03 15 5.5011528E-02 2.9981313E-06 -1.8984779E-07 7.0209530E-06 -1.2660776E-03 2p+ 3p+ 4p+ 5p+ 1 1.5281163E+05 -4.7762799E-05 2.2051630E-05 -9.0850382E-06 1.8124007E-06 2 2.3110286E+04 -3.5140817E-04 1.6191696E-04 -6.5843678E-05 1.3185474E-05 3 5.4831530E+03 -1.6002328E-03 7.4188272E-04 -3.0523150E-04 6.0937676E-05 4 1.6924998E+03 -5.2962986E-03 2.4740738E-03 -1.0097420E-03 2.0221119E-04 5 6.1634289E+02 -1.3471001E-02 6.4618523E-03 -2.6757800E-03 5.3468062E-04 6 2.5022695E+02 -2.5689758E-02 1.2869787E-02 -5.3168596E-03 1.0670529E-03 7 1.0897990E+02 -3.2649099E-02 1.7595422E-02 -7.4937996E-03 1.5005775E-03 8 4.9652929E+01 -2.1822290E-02 1.0699813E-02 -4.2529437E-03 8.5694713E-04 9 2.2431192E+01 -4.8430289E-03 -8.6210930E-03 4.8743223E-03 -1.0347740E-03 10 1.0455260E+01 -5.2063888E-05 -1.6029539E-02 1.0529376E-02 -2.2161216E-03 11 4.9364717E+00 -4.5291837E-05 -5.3999687E-03 1.1551279E-03 -1.7860944E-04 12 2.0840617E+00 1.2534743E-05 -2.5921008E-04 -7.7733764E-03 2.1059245E-03 13 8.3843103E-01 -2.2271223E-06 -3.2706499E-06 -3.5835241E-03 9.2085860E-04 14 1.8829216E-01 2.8876358E-07 -1.8010432E-07 -1.0766957E-04 -1.5014440E-03 15 5.5011528E-02 -5.3871361E-08 3.2891825E-08 9.8075705E-06 -1.3472125E-03 3d- 4d- 1 1.2160457E+03 -3.5764667E-04 1.2707677E-04 2 3.4956673E+02 -1.7975387E-03 6.4838103E-04 3 1.3184552E+02 -5.5950532E-03 2.0176943E-03 4 5.6284409E+01 -1.1808906E-02 4.3719831E-03 5 2.5731221E+01 -1.6296375E-02 5.9111468E-03 6 1.2090868E+01 -1.3620362E-02 4.6263733E-03 7 5.7582557E+00 -5.3371047E-03 -8.5149496E-04 8 2.6104024E+00 -6.1444137E-04 -5.7192434E-03 9 1.1246612E+00 -1.6659495E-06 -4.8748731E-03 10 4.5107930E-01 -1.3785892E-06 -1.8008777E-03 11 1.5088292E-01 5.0810834E-07 -1.5495195E-04 3d+ 4d+ 1 1.2160457E+03 -3.1727072E-04 1.1191150E-04 2 3.4956673E+02 -1.6816134E-03 6.0260314E-04 3 1.3184552E+02 -5.3860670E-03 1.9291406E-03 4 5.6284409E+01 -1.1557517E-02 4.2508023E-03 5 2.5731221E+01 -1.6153549E-02 5.8299016E-03 6 1.2090868E+01 -1.3711289E-02 4.6574446E-03 7 5.7582557E+00 -5.4917525E-03 -6.8488147E-04 8 2.6104024E+00 -6.5379282E-04 -5.5796989E-03 9 1.1246612E+00 -3.7602538E-06 -4.8839843E-03 10 4.5107930E-01 -2.1178167E-06 -1.8685777E-03 11 1.5088292E-01 3.0866304E-07 -1.7152810E-04 ** Sn 120 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.5245447E+07 4.3791897E-05 -1.5047389E-05 6.6482130E-06 2.8923384E-06 8.6889769E-07 2 8.0691358E+06 1.4406116E-04 -4.9643382E-05 2.1931292E-05 9.5460868E-06 2.8679513E-06 3 1.8903023E+06 4.1755460E-04 -1.4455293E-04 6.3951101E-05 2.7818723E-05 8.3568935E-06 4 5.1516459E+05 1.1565847E-03 -4.0259740E-04 1.7804540E-04 7.7560280E-05 2.3305709E-05 5 1.5791787E+05 3.1756122E-03 -1.1139687E-03 4.9401186E-04 2.1482868E-04 6.4527922E-05 6 5.3129954E+04 8.6507289E-03 -3.0583253E-03 1.3545828E-03 5.9085804E-04 1.7760264E-04 7 1.9309089E+04 2.3029979E-02 -8.2592621E-03 3.6774447E-03 1.5985949E-03 4.8008295E-04 8 7.4864355E+03 5.8336375E-02 -2.1406370E-02 9.5236680E-03 4.1638589E-03 1.2522743E-03 9 3.0658105E+03 1.3408653E-01 -5.1942388E-02 2.3423038E-02 1.0190303E-02 3.0603179E-03 10 1.3148910E+03 2.5782325E-01 -1.1109533E-01 5.0554455E-02 2.2264116E-02 6.7060455E-03 11 5.8613304E+02 3.5241769E-01 -1.9019925E-01 9.0693359E-02 3.9718168E-02 1.1938025E-02 12 2.6805361E+02 2.5501110E-01 -1.7470736E-01 8.5951950E-02 3.9191203E-02 1.1894387E-02 13 1.1596060E+02 5.2380901E-02 1.7955214E-01 -1.1218012E-01 -5.5191868E-02 -1.7013652E-02 14 5.7205556E+01 -4.7895365E-03 5.8871252E-01 -5.1715569E-01 -2.5248268E-01 -7.7277624E-02 15 2.8184796E+01 2.5576290E-03 3.7029745E-01 -3.7059373E-01 -2.1416353E-01 -6.8340270E-02 16 1.2044452E+01 -1.2725055E-03 4.1077026E-02 6.5261104E-01 5.2891409E-01 1.8009223E-01 17 5.9946461E+00 6.2103938E-04 -4.2139777E-03 6.6552452E-01 7.3796062E-01 2.6249224E-01 18 2.2181382E+00 -2.3443503E-04 1.1195311E-03 6.0579636E-02 -7.3772170E-01 -3.5789226E-01 19 9.9662893E-01 9.8726639E-05 -5.2984649E-04 -6.5626638E-03 -6.9447823E-01 -4.6880479E-01 20 2.0685277E-01 -2.3934746E-05 1.1440339E-04 1.4859523E-03 -2.5757140E-02 6.9967795E-01 21 7.8107587E-02 9.7503358E-06 -4.6042408E-05 -5.8875100E-04 6.2240343E-03 5.2571380E-01 2p- 3p- 4p- 5p- 1 1.7502468E+05 4.7108656E-04 -2.1655010E-04 9.0336561E-05 -2.1249640E-05 2 2.6282750E+04 1.6799077E-03 -7.7372897E-04 3.2245080E-04 -7.5930193E-05 3 6.1682918E+03 6.0841921E-03 -2.8186791E-03 1.1799551E-03 -2.7720588E-04 4 1.8857509E+03 2.2723152E-02 -1.0636553E-02 4.4359048E-03 -1.0468838E-03 5 6.8196431E+02 7.7683228E-02 -3.7297757E-02 1.5755024E-02 -3.6992234E-03 6 2.7553636E+02 2.1050174E-01 -1.0559852E-01 4.4522715E-02 -1.0547502E-02 7 1.1964108E+02 3.8491911E-01 -2.0661113E-01 8.9818493E-02 -2.1083155E-02 8 5.4439532E+01 3.6791872E-01 -1.7499168E-01 6.9915415E-02 -1.6827676E-02 9 2.4763778E+01 1.1779923E-01 2.3520499E-01 -1.3582528E-01 3.4773525E-02 10 1.1561276E+01 2.5971246E-03 6.0299761E-01 -4.0738802E-01 9.9934604E-02 11 5.4920101E+00 1.9547296E-03 2.9081857E-01 -4.7293429E-02 9.4999673E-03 12 2.3093276E+00 -8.3677485E-04 2.1102470E-02 6.8324135E-01 -2.3223774E-01 13 9.4472846E-01 2.3129713E-04 1.0332670E-04 4.5140582E-01 -1.1730070E-01 14 2.2138009E-01 -6.7238644E-05 8.9911677E-05 2.3786328E-02 5.4429446E-01 15 6.8177545E-02 2.3979626E-05 -3.5727138E-05 -3.6115506E-03 5.9156943E-01 2p+ 3p+ 4p+ 5p+ 1 1.7502468E+05 2.4368863E-05 -1.1339686E-05 4.7476876E-06 -1.0965751E-06 2 2.6282750E+04 3.2869032E-04 -1.5310150E-04 6.3488997E-05 -1.4739654E-05 3 6.1682918E+03 2.6929007E-03 -1.2603010E-03 5.2818296E-04 -1.2202066E-04 4 1.8857509E+03 1.5240098E-02 -7.1919796E-03 2.9905662E-03 -6.9445506E-04 5 6.8196431E+02 6.3235626E-02 -3.0561111E-02 1.2891298E-02 -2.9803895E-03 6 2.7553636E+02 1.9028206E-01 -9.6013329E-02 4.0390421E-02 -9.4032450E-03 7 1.1964108E+02 3.7519839E-01 -2.0291831E-01 8.7992440E-02 -2.0371072E-02 8 5.4439532E+01 3.8870195E-01 -1.9854069E-01 8.1302117E-02 -1.9108021E-02 9 2.4763778E+01 1.3908150E-01 1.8990823E-01 -1.1083646E-01 2.7767523E-02 10 1.1561276E+01 4.3049506E-03 6.0295808E-01 -4.0265221E-01 9.7791842E-02 11 5.4920101E+00 2.3730545E-03 3.2718619E-01 -1.0112735E-01 2.2679463E-02 12 2.3093276E+00 -1.0315716E-03 2.8206409E-02 6.5282001E-01 -2.1247859E-01 13 9.4472846E-01 2.9548157E-04 -1.3128119E-04 4.9868718E-01 -1.4574831E-01 14 2.2138009E-01 -8.5215187E-05 1.7565803E-04 3.2569808E-02 4.9383483E-01 15 6.8177545E-02 3.0421541E-05 -6.6152033E-05 -5.3512681E-03 6.4263164E-01 3d- 4d- 1 1.3546789E+03 1.1952504E-03 -4.4373277E-04 2 3.8807285E+02 9.6100643E-03 -3.6180096E-03 3 1.4626089E+02 4.7509566E-02 -1.7882825E-02 4 6.2496516E+01 1.5416922E-01 -5.9576662E-02 5 2.8656374E+01 3.2227182E-01 -1.2246219E-01 6 1.3526800E+01 4.0766721E-01 -1.4640812E-01 7 6.4870561E+00 2.4735015E-01 1.9016238E-02 8 2.9770882E+00 4.7499736E-02 3.5834949E-01 9 1.3074779E+00 5.4857275E-04 4.8514469E-01 10 5.3865535E-01 3.6912511E-04 2.7781835E-01 11 1.8443076E-01 -1.0057804E-04 3.8859717E-02 3d+ 4d+ 1 1.3546789E+03 8.8423825E-04 -3.2622046E-04 2 3.8807285E+02 8.5614252E-03 -3.2082719E-03 3 1.4626089E+02 4.4870802E-02 -1.6801455E-02 4 6.2496516E+01 1.4966658E-01 -5.7550187E-02 5 2.8656374E+01 3.1801079E-01 -1.2043135E-01 6 1.3526800E+01 4.0925195E-01 -1.4715410E-01 7 6.4870561E+00 2.5377386E-01 1.1764347E-02 8 2.9770882E+00 5.0164033E-02 3.4906857E-01 9 1.3074779E+00 6.1162225E-04 4.8614464E-01 10 5.3865535E-01 4.0300151E-04 2.8810188E-01 11 1.8443076E-01 -1.0861331E-04 4.2689921E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.5245447E+07 -9.3977298E-05 3.2231385E-05 -1.4245342E-05 -6.1918641E-06 -1.8596334E-06 2 8.0691358E+06 -3.5051819E-04 1.2015786E-04 -5.3012598E-05 -2.3090192E-05 -6.9386098E-06 3 1.8903023E+06 -8.9870607E-04 3.0841581E-04 -1.3635906E-04 -5.9251354E-05 -1.7793767E-05 4 5.1516459E+05 -2.0783485E-03 7.1315885E-04 -3.1456043E-04 -1.3708069E-04 -4.1198306E-05 5 1.5791787E+05 -4.4201146E-03 1.5210754E-03 -6.7307776E-04 -2.9233450E-04 -8.7779628E-05 6 5.3129954E+04 -8.8191973E-03 3.0441679E-03 -1.3432000E-03 -5.8582679E-04 -1.7610029E-04 7 1.9309089E+04 -1.6499959E-02 5.7622370E-03 -2.5569687E-03 -1.1101975E-03 -3.3331928E-04 8 7.4864355E+03 -2.8699233E-02 1.0241124E-02 -4.5376454E-03 -1.9830050E-03 -5.9635757E-04 9 3.0658105E+03 -4.4825785E-02 1.6892459E-02 -7.5902264E-03 -3.2989297E-03 -9.9052531E-04 10 1.3148910E+03 -5.8498241E-02 2.4554316E-02 -1.1134473E-02 -4.9009768E-03 -1.4760698E-03 11 5.8613304E+02 -5.4483662E-02 2.8702479E-02 -1.3647173E-02 -5.9727232E-03 -1.7949906E-03 12 2.6805361E+02 -2.6947479E-02 1.8139112E-02 -8.9182975E-03 -4.0652581E-03 -1.2337031E-03 13 1.1596060E+02 -3.6579447E-03 -1.2071466E-02 7.4985887E-03 3.6881788E-03 1.1369265E-03 14 5.7205556E+01 2.3547681E-04 -2.8177287E-02 2.4664173E-02 1.2033935E-02 3.6828506E-03 15 2.8184796E+01 -8.8077679E-05 -1.2461189E-02 1.2451994E-02 7.1950512E-03 2.2958324E-03 16 1.2044452E+01 2.8600167E-05 -9.0639334E-04 -1.4303590E-02 -1.1584394E-02 -3.9439296E-03 17 5.9946461E+00 -9.8428011E-06 6.6573888E-05 -1.0306727E-02 -1.1421809E-02 -4.0626710E-03 18 2.2181382E+00 2.2521111E-06 -1.1000373E-05 -5.6994570E-04 6.9432353E-03 3.3678959E-03 19 9.9662893E-01 -6.3276017E-07 3.5294442E-06 4.1160793E-05 4.3819910E-03 2.9577914E-03 20 2.0685277E-01 6.8778829E-08 -3.7270188E-07 -4.2060694E-06 7.4050516E-05 -2.0110450E-03 21 7.8107587E-02 -1.6838899E-08 1.0013923E-07 1.0109456E-06 -1.0998006E-05 -9.2853430E-04 2p- 3p- 4p- 5p- 1 1.7502468E+05 -1.4178072E-04 6.5355239E-05 -2.7341352E-05 6.4208604E-06 2 2.6282750E+04 -6.3890291E-04 2.9502358E-04 -1.2272039E-04 2.8950953E-05 3 6.1682918E+03 -2.2276478E-03 1.0343612E-03 -4.3386490E-04 1.0181548E-04 4 1.8857509E+03 -6.4078667E-03 3.0021110E-03 -1.2512093E-03 2.9547262E-04 5 6.8196431E+02 -1.5083393E-02 7.2460036E-03 -3.0622535E-03 7.1881284E-04 6 2.7553636E+02 -2.7418792E-02 1.3764833E-02 -5.8031512E-03 1.3750024E-03 7 1.1964108E+02 -3.3742218E-02 1.8140622E-02 -7.8891959E-03 1.8517387E-03 8 5.4439532E+01 -2.1867315E-02 1.0446151E-02 -4.1774866E-03 1.0057774E-03 9 2.4763778E+01 -4.6119832E-03 -9.5565995E-03 5.5085006E-03 -1.4099716E-03 10 1.1561276E+01 2.1378369E-05 -1.6736481E-02 1.1299655E-02 -2.7717247E-03 11 5.4920101E+00 2.5958919E-05 -5.5678638E-03 9.1176919E-04 -1.8368552E-04 12 2.3093276E+00 4.2298991E-05 -2.6370273E-04 -8.4670699E-03 2.8781532E-03 13 9.4472846E-01 2.1572759E-05 -2.2677354E-06 -3.5771034E-03 9.2970714E-04 14 2.2138009E-01 1.0415072E-05 -9.6267640E-07 -9.0059297E-05 -2.0895919E-03 15 6.8177545E-02 3.6070314E-06 -1.4902792E-07 8.1417937E-06 -1.2602918E-03 2p+ 3p+ 4p+ 5p+ 1 1.7502468E+05 -4.3799939E-05 2.0332232E-05 -8.5335244E-06 1.9678697E-06 2 2.6282750E+04 -3.2636304E-04 1.5143629E-04 -6.2674444E-05 1.4558575E-05 3 6.1682918E+03 -1.5106931E-03 7.0417858E-04 -2.9504801E-04 6.8135451E-05 4 1.8857509E+03 -5.0739544E-03 2.3848680E-03 -9.9067842E-04 2.3005558E-04 5 6.8196431E+02 -1.3104027E-02 6.3095361E-03 -2.6599635E-03 6.1486703E-04 6 2.7553636E+02 -2.5493972E-02 1.2822080E-02 -5.3904118E-03 1.2548681E-03 7 1.1964108E+02 -3.3398023E-02 1.8014594E-02 -7.8083984E-03 1.8075750E-03 8 5.4439532E+01 -2.3434246E-02 1.1952477E-02 -4.8949233E-03 1.1504211E-03 9 2.4763778E+01 -5.6637188E-03 -7.6886315E-03 4.4849852E-03 -1.1236191E-03 10 1.1561276E+01 -1.1981492E-04 -1.6726277E-02 1.1164512E-02 -2.7113629E-03 11 5.4920101E+00 -4.5487121E-05 -6.2594350E-03 1.9357680E-03 -4.3428623E-04 12 2.3093276E+00 1.2816385E-05 -3.4986933E-04 -8.0935349E-03 2.6340849E-03 13 9.4472846E-01 -2.3461704E-06 1.0256156E-06 -3.9548923E-03 1.1558211E-03 14 2.2138009E-01 3.2670479E-07 -6.7014993E-07 -1.2503544E-04 -1.8956881E-03 15 6.8177545E-02 -6.4458378E-08 1.3937216E-07 1.1399999E-05 -1.3690039E-03 3d- 4d- 1 1.3546789E+03 -3.3684274E-04 1.2493040E-04 2 3.8807285E+02 -1.7087828E-03 6.4350587E-04 3 1.4626089E+02 -5.4036163E-03 2.0337719E-03 4 6.2496516E+01 -1.1644992E-02 4.5005003E-03 5 2.8656374E+01 -1.6576943E-02 6.3003820E-03 6 1.3526800E+01 -1.4443616E-02 5.1891362E-03 7 6.4870561E+00 -6.0700695E-03 -4.6697962E-04 8 2.9770882E+00 -7.8637208E-04 -5.9667404E-03 9 1.3074779E+00 -3.9583170E-06 -5.3545070E-03 10 5.3865535E-01 -1.9239849E-06 -1.9680938E-03 11 1.8443076E-01 7.0401491E-07 -1.6101049E-04 3d+ 4d+ 1 1.3546789E+03 -2.9623958E-04 1.0919255E-04 2 3.8807285E+02 -1.5906363E-03 5.9579527E-04 3 1.4626089E+02 -5.1862290E-03 1.9409356E-03 4 6.2496516E+01 -1.1376510E-02 4.3728014E-03 5 2.8656374E+01 -1.6411908E-02 6.2131799E-03 6 1.3526800E+01 -1.4526479E-02 5.2222334E-03 7 6.4870561E+00 -6.2415655E-03 -2.8766653E-04 8 2.9770882E+00 -8.3581163E-04 -5.8133638E-03 9 1.3074779E+00 -6.7949311E-06 -5.3661064E-03 10 5.3865535E-01 -2.8401496E-06 -2.0412477E-03 11 1.8443076E-01 4.4591736E-07 -1.7698435E-04 ** Sb 121 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.6313407E+07 4.6127672E-05 -1.5911595E-05 7.0616839E-06 3.1110044E-06 9.9003191E-07 2 8.3684599E+06 1.5028369E-04 -5.1991349E-05 2.3072525E-05 1.0171166E-05 3.2372425E-06 3 1.9773515E+06 4.3119671E-04 -1.4986285E-04 6.6598941E-05 2.9337904E-05 9.3362068E-06 4 5.4177878E+05 1.1815080E-03 -4.1296354E-04 1.8346418E-04 8.0936099E-05 2.5763689E-05 5 1.6663589E+05 3.2104087E-03 -1.1308939E-03 5.0379688E-04 2.2188469E-04 7.0607177E-05 6 5.6173447E+04 8.6656810E-03 -3.0774969E-03 1.3694034E-03 6.0487298E-04 1.9259076E-04 7 2.0436646E+04 2.2906838E-02 -8.2515255E-03 3.6908866E-03 1.6251049E-03 5.1710105E-04 8 7.9271009E+03 5.7749810E-02 -2.1285898E-02 9.5142217E-03 4.2120371E-03 1.3416960E-03 9 3.2464272E+03 1.3248205E-01 -5.1491336E-02 2.3324210E-02 1.0279091E-02 3.2712654E-03 10 1.3920592E+03 2.5514144E-01 -1.1013900E-01 5.0340235E-02 2.2445486E-02 7.1595145E-03 11 6.2027701E+02 3.5131933E-01 -1.8905184E-01 9.0491347E-02 4.0154733E-02 1.2794787E-02 12 2.8357521E+02 2.5823371E-01 -1.7677969E-01 8.7297462E-02 4.0252960E-02 1.2923730E-02 13 1.2326954E+02 5.4796257E-02 1.6905173E-01 -1.0605322E-01 -5.2875364E-02 -1.7233172E-02 14 6.0823636E+01 -4.6588336E-03 5.8538552E-01 -5.1325358E-01 -2.5417266E-01 -8.2626887E-02 15 2.9959224E+01 2.5657328E-03 3.8061994E-01 -3.8584474E-01 -2.2493071E-01 -7.5859417E-02 16 1.2796504E+01 -1.2927973E-03 4.3788114E-02 6.4209644E-01 5.2831123E-01 1.9084393E-01 17 6.3970526E+00 6.4521647E-04 -4.7306265E-03 6.7557632E-01 7.6119962E-01 2.8990411E-01 18 2.4035715E+00 -2.5217002E-04 1.3038838E-03 6.4695818E-02 -7.2302716E-01 -3.7807315E-01 19 1.0998884E+00 1.0885662E-04 -6.1804906E-04 -7.0811690E-03 -7.1616650E-01 -5.1768019E-01 20 2.4470456E-01 -2.7062919E-05 1.3876363E-04 1.5903507E-03 -2.8300946E-02 7.2635765E-01 21 9.3676885E-02 1.0720792E-05 -5.3902736E-05 -6.2008042E-04 6.3062374E-03 5.2426507E-01 2p- 3p- 4p- 5p- 1 2.0013795E+05 4.6316073E-04 -2.1408000E-04 9.0791064E-05 -2.3667737E-05 2 2.9858385E+04 1.6327497E-03 -7.5620424E-04 3.2039933E-04 -8.3611649E-05 3 6.9338548E+03 5.8051140E-03 -2.7027422E-03 1.1501805E-03 -2.9944298E-04 4 2.0993388E+03 2.1399704E-02 -1.0070589E-02 4.2692866E-03 -1.1167445E-03 5 7.5383727E+02 7.3208399E-02 -3.5266435E-02 1.5143321E-02 -3.9398164E-03 6 3.0306587E+02 2.0097136E-01 -1.0116712E-01 4.3345393E-02 -1.1383488E-02 7 1.3118936E+02 3.7717107E-01 -2.0257397E-01 8.9496598E-02 -2.3279601E-02 8 5.9618016E+01 3.7694334E-01 -1.8682417E-01 7.6928013E-02 -2.0533385E-02 9 2.7294613E+01 1.3044784E-01 2.0452263E-01 -1.2132129E-01 3.4774861E-02 10 1.2742908E+01 4.7168606E-03 6.0056777E-01 -4.1193027E-01 1.1228165E-01 11 6.0765408E+00 1.8109853E-03 3.1711014E-01 -8.1357851E-02 2.0933941E-02 12 2.5481636E+00 -7.9822191E-04 2.6145251E-02 6.7822857E-01 -2.6143357E-01 13 1.0605691E+00 2.2518864E-04 -3.7907459E-04 4.6761701E-01 -1.3639900E-01 14 2.6280194E-01 -6.8549200E-05 1.9580853E-04 2.6014221E-02 5.8284861E-01 15 8.2880897E-02 2.4410172E-05 -7.6891421E-05 -3.5805655E-03 5.5992705E-01 2p+ 3p+ 4p+ 5p+ 1 2.0013795E+05 2.1824625E-05 -1.0212035E-05 4.3502295E-06 -1.1117524E-06 2 2.9858385E+04 2.9281887E-04 -1.3731976E-04 5.7920618E-05 -1.4887014E-05 3 6.9338548E+03 2.4232628E-03 -1.1402752E-03 4.8622032E-04 -1.2428791E-04 4 2.0993388E+03 1.3904824E-02 -6.6022989E-03 2.7923339E-03 -7.1784796E-04 5 7.5383727E+02 5.8610065E-02 -2.8434531E-02 1.2200521E-02 -3.1211613E-03 6 3.0306587E+02 1.7997960E-01 -9.1173556E-02 3.9001831E-02 -1.0053010E-02 7 1.3118936E+02 3.6567006E-01 -1.9793054E-01 8.7266922E-02 -2.2357422E-02 8 5.9618016E+01 3.9698935E-01 -2.0937269E-01 8.8062895E-02 -2.2935293E-02 9 2.7294613E+01 1.5376208E-01 1.5715300E-01 -9.5199751E-02 2.6729389E-02 10 1.2742908E+01 7.2659529E-03 5.9610299E-01 -4.0403610E-01 1.0884541E-01 11 6.0765408E+00 2.1582929E-03 3.5599337E-01 -1.3741053E-01 3.6013597E-02 12 2.5481636E+00 -9.6737825E-04 3.4821506E-02 6.4324373E-01 -2.3708899E-01 13 1.0605691E+00 2.8237561E-04 -7.6053608E-04 5.1731663E-01 -1.6963742E-01 14 2.6280194E-01 -8.5551760E-05 3.2286822E-04 3.5614147E-02 5.2819570E-01 15 8.2880897E-02 3.0482187E-05 -1.2236034E-04 -5.3231894E-03 6.1673288E-01 3d- 4d- 1 1.4999394E+03 1.0996927E-03 -4.2386771E-04 2 4.2818574E+02 8.8113791E-03 -3.4436301E-03 3 1.6121862E+02 4.4022480E-02 -1.7200564E-02 4 6.8931191E+01 1.4523953E-01 -5.8253317E-02 5 3.1680846E+01 3.1150286E-01 -1.2328287E-01 6 1.5011637E+01 4.0769552E-01 -1.5351555E-01 7 7.2404674E+00 2.6169977E-01 2.9976812E-03 8 3.3593207E+00 5.5132492E-02 3.4955713E-01 9 1.4998951E+00 8.8906433E-04 4.9269694E-01 10 6.3167229E-01 4.1651256E-04 2.7911924E-01 11 2.2123480E-01 -1.2057501E-04 3.7985947E-02 3d+ 4d+ 1 1.4999394E+03 7.9419405E-04 -3.0445751E-04 2 4.2818574E+02 7.7748428E-03 -3.0273064E-03 3 1.6121862E+02 4.1381821E-02 -1.6099026E-02 4 6.8931191E+01 1.4065066E-01 -5.6183169E-02 5 3.1680846E+01 3.0692720E-01 -1.2116310E-01 6 1.5011637E+01 4.0887499E-01 -1.5422768E-01 7 7.2404674E+00 2.6833847E-01 -4.3853086E-03 8 3.3593207E+00 5.8207522E-02 3.3992406E-01 9 1.4998951E+00 9.9797768E-04 4.9378086E-01 10 6.3167229E-01 4.5347181E-04 2.8937147E-01 11 2.2123480E-01 -1.2910861E-04 4.1516332E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.6313407E+07 -9.6789624E-05 3.3323240E-05 -1.4794285E-05 -6.5124612E-06 -2.0721734E-06 2 8.3684599E+06 -3.6065182E-04 1.2411730E-04 -5.5006330E-05 -2.4261612E-05 -7.7227295E-06 3 1.9773515E+06 -9.2016251E-04 3.1698833E-04 -1.4077994E-04 -6.1953911E-05 -1.9711745E-05 4 5.4177878E+05 -2.1202831E-03 7.3043219E-04 -3.2363466E-04 -1.4281477E-04 -4.5463834E-05 5 1.6663589E+05 -4.4964927E-03 1.5532492E-03 -6.9040513E-04 -3.0370215E-04 -9.6620023E-05 6 5.6173447E+04 -8.9533350E-03 3.1026878E-03 -1.3752163E-03 -6.0733597E-04 -1.9336976E-04 7 2.0436646E+04 -1.6728178E-02 5.8629438E-03 -2.6133009E-03 -1.1492519E-03 -3.6560217E-04 8 7.9271009E+03 -2.9078673E-02 1.0412719E-02 -4.6344132E-03 -2.0506559E-03 -6.5315230E-04 9 3.2464272E+03 -4.5454704E-02 1.7167751E-02 -7.7474423E-03 -3.4108641E-03 -1.0852800E-03 10 1.3920592E+03 -5.9510417E-02 2.4997224E-02 -1.1383403E-02 -5.0726462E-03 -1.6178650E-03 11 6.2027701E+02 -5.5882594E-02 2.9322693E-02 -1.3993494E-02 -6.2052080E-03 -1.9769559E-03 12 2.8357521E+02 -2.8088696E-02 1.8874457E-02 -9.3136033E-03 -4.2932258E-03 -1.3783075E-03 13 1.2326954E+02 -3.9496835E-03 -1.1701891E-02 7.2959373E-03 3.6365098E-03 1.1851555E-03 14 6.0823636E+01 2.3648714E-04 -2.8888871E-02 2.5234248E-02 1.2488160E-02 4.0592032E-03 15 2.9959224E+01 -9.1204042E-05 -1.3207631E-02 1.3366238E-02 7.7908740E-03 2.6273877E-03 16 1.2796504E+01 2.9985613E-05 -9.9594824E-04 -1.4504583E-02 -1.1925389E-02 -4.3072539E-03 17 6.3970526E+00 -1.0576916E-05 7.7079786E-05 -1.0808400E-02 -1.2170659E-02 -4.6351089E-03 18 2.4035715E+00 2.5250452E-06 -1.3277996E-05 -6.3360326E-04 7.0835705E-03 3.7034217E-03 19 1.0998884E+00 -7.3399970E-07 4.3027084E-06 4.6645489E-05 4.7472120E-03 3.4311954E-03 20 2.4470456E-01 8.4787865E-08 -4.8370045E-07 -4.8924175E-06 8.8499863E-05 -2.2707225E-03 21 9.3676885E-02 -2.0343139E-08 1.2515765E-07 1.1647950E-06 -1.2205093E-05 -1.0140762E-03 2p- 3p- 4p- 5p- 1 2.0013795E+05 -1.3886098E-04 6.4342518E-05 -2.7366536E-05 7.1216724E-06 2 2.9858385E+04 -6.1967368E-04 2.8786092E-04 -1.2172566E-04 3.1828854E-05 3 6.9338548E+03 -2.1590951E-03 1.0074995E-03 -4.2968261E-04 1.1172745E-04 4 2.0993388E+03 -6.2373450E-03 2.9385186E-03 -1.2448664E-03 3.2586207E-04 5 7.5383727E+02 -1.4813272E-02 7.1399893E-03 -3.0675304E-03 7.9782556E-04 6 3.0306587E+02 -2.7352300E-02 1.3779582E-02 -5.9033784E-03 1.5506563E-03 7 1.3118936E+02 -3.4568017E-02 1.8595615E-02 -8.2188023E-03 2.1377153E-03 8 5.9618016E+01 -2.3434863E-02 1.1665594E-02 -4.8077767E-03 1.2836816E-03 9 2.7294613E+01 -5.3737823E-03 -8.7262225E-03 5.1648115E-03 -1.4800310E-03 10 1.2742908E+01 -3.3346670E-05 -1.7499894E-02 1.1994288E-02 -3.2691194E-03 11 6.0765408E+00 3.3664441E-05 -6.3860715E-03 1.6445990E-03 -4.2354910E-04 12 2.5481636E+00 4.6111269E-05 -3.4281505E-04 -8.8284195E-03 3.4032427E-03 13 1.0605691E+00 2.3622738E-05 1.6430620E-06 -3.9261609E-03 1.1454556E-03 14 2.6280194E-01 1.1641056E-05 -1.4926704E-06 -1.0737068E-04 -2.4379790E-03 15 8.2880897E-02 4.4138530E-06 -8.8288957E-08 8.9726660E-06 -1.3152570E-03 2p+ 3p+ 4p+ 5p+ 1 2.0013795E+05 -4.0188551E-05 1.8752009E-05 -8.0103037E-06 2.0432697E-06 2 2.9858385E+04 -3.0297343E-04 1.4154780E-04 -5.9575284E-05 1.5322646E-05 3 6.9338548E+03 -1.4251965E-03 6.6778656E-04 -2.8468900E-04 7.2739002E-05 4 2.0993388E+03 -4.8573998E-03 2.2968013E-03 -9.7034445E-04 2.4946290E-04 5 7.5383727E+02 -1.2734965E-02 6.1541339E-03 -2.6389760E-03 6.7498010E-04 6 3.0306587E+02 -2.5258656E-02 1.2751639E-02 -5.4510067E-03 1.4049548E-03 7 1.3118936E+02 -3.4068312E-02 1.8388427E-02 -8.1036241E-03 2.0759234E-03 8 5.9618016E+01 -2.5043787E-02 1.3186085E-02 -5.5460793E-03 1.4444122E-03 9 2.7294613E+01 -6.5744731E-03 -6.6742318E-03 4.0411059E-03 -1.1346884E-03 10 1.2742908E+01 -2.1227134E-04 -1.7359374E-02 1.1760226E-02 -3.1679348E-03 11 6.0765408E+00 -4.3560513E-05 -7.1639686E-03 2.7660377E-03 -7.2510186E-04 12 2.5481636E+00 1.2643718E-05 -4.5373374E-04 -8.3769056E-03 3.0873470E-03 13 1.0605691E+00 -2.3823480E-06 6.3736756E-06 -4.3469354E-03 1.4253679E-03 14 2.6280194E-01 3.5905690E-07 -1.3451228E-06 -1.4896613E-04 -2.2091471E-03 15 8.2880897E-02 -7.1809252E-08 2.8536927E-07 1.2503120E-05 -1.4485942E-03 3d- 4d- 1 1.4999394E+03 -3.1963133E-04 1.2307218E-04 2 4.2818574E+02 -1.6347978E-03 6.3910220E-04 3 1.6121862E+02 -5.2427767E-03 2.0482839E-03 4 6.8931191E+01 -1.1508743E-02 4.6164267E-03 5 3.1680846E+01 -1.6839096E-02 6.6656936E-03 6 1.5011637E+01 -1.5213544E-02 5.7307379E-03 7 7.2404674E+00 -6.7845538E-03 -7.7476979E-05 8 3.3593207E+00 -9.6994082E-04 -6.1823839E-03 9 1.4998951E+00 -8.0451990E-06 -5.8241786E-03 10 6.3167229E-01 -2.3600350E-06 -2.1412038E-03 11 2.2123480E-01 9.0902670E-07 -1.7235662E-04 3d+ 4d+ 1 1.4999394E+03 -2.7863507E-04 1.0671201E-04 2 4.2818574E+02 -1.5140743E-03 5.8924560E-04 3 1.6121862E+02 -5.0165383E-03 1.9505266E-03 4 6.8931191E+01 -1.1222777E-02 4.4810339E-03 5 3.1680846E+01 -1.6651724E-02 6.5710965E-03 6 1.5011637E+01 -1.5287905E-02 5.7653167E-03 7 7.2404674E+00 -6.9725097E-03 1.1568568E-04 8 3.3593207E+00 -1.0302544E-03 -6.0133233E-03 9 1.4998951E+00 -1.1849080E-05 -5.8376781E-03 10 6.3167229E-01 -3.4625999E-06 -2.2202333E-03 11 2.2123480E-01 5.8141552E-07 -1.8851280E-04 ** Te 130 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.6087644E+07 4.9304037E-05 -1.7073900E-05 7.6103558E-06 3.3934221E-06 1.1302062E-06 2 8.4818553E+06 1.5886418E-04 -5.5178809E-05 2.4593525E-05 1.0973077E-05 3.6549750E-06 3 2.0293532E+06 4.5076340E-04 -1.5729158E-04 7.0204079E-05 3.1302171E-05 1.0425549E-05 4 5.6064998E+05 1.2209169E-03 -4.2852051E-04 1.9121194E-04 8.5375219E-05 2.8440362E-05 5 1.7342363E+05 3.2808939E-03 -1.1606844E-03 5.1933553E-04 2.3152144E-04 7.7111663E-05 6 5.8686586E+04 8.7678005E-03 -3.1281261E-03 1.3981666E-03 6.2504177E-04 2.0825352E-04 7 2.1406436E+04 2.2988043E-02 -8.3191695E-03 3.7376675E-03 1.6659076E-03 5.5486829E-04 8 8.3176518E+03 5.7601575E-02 -2.1332222E-02 9.5782111E-03 4.2914990E-03 1.4303653E-03 9 3.4102686E+03 1.3164954E-01 -5.1373092E-02 2.3373220E-02 1.0428019E-02 3.4742982E-03 10 1.4633990E+03 2.5330902E-01 -1.0966844E-01 5.0347068E-02 2.2717816E-02 7.5811959E-03 11 6.5236309E+02 3.5003655E-01 -1.8821417E-01 9.0446348E-02 4.0639239E-02 1.3561695E-02 12 2.9838404E+02 2.5993120E-01 -1.7768791E-01 8.8078323E-02 4.1071501E-02 1.3782046E-02 13 1.3028957E+02 5.6499383E-02 1.6216532E-01 -1.0233570E-01 -5.1680899E-02 -1.7586429E-02 14 6.4305136E+01 -4.5082318E-03 5.8252623E-01 -5.1089718E-01 -2.5650625E-01 -8.7495688E-02 15 3.1682965E+01 2.5578149E-03 3.8766920E-01 -3.9687399E-01 -2.3379598E-01 -8.2364062E-02 16 1.3553528E+01 -1.3057593E-03 4.5867746E-02 6.3413588E-01 5.3014043E-01 2.0065861E-01 17 6.8043079E+00 6.6394222E-04 -5.1206742E-03 6.8316335E-01 7.8156051E-01 3.1473609E-01 18 2.5933017E+00 -2.6738386E-04 1.4522242E-03 6.8374818E-02 -7.1194335E-01 -3.9637085E-01 19 1.2066062E+00 1.1784434E-04 -6.9264995E-04 -7.5369295E-03 -7.3436885E-01 -5.6051653E-01 20 2.8405604E-01 -2.9780847E-05 1.5976770E-04 1.6656659E-03 -3.0638208E-02 7.4775701E-01 21 1.0983096E-01 1.1483619E-05 -5.9945766E-05 -6.4147991E-04 6.3086180E-03 5.2588432E-01 2p- 3p- 4p- 5p- 1 2.2646808E+05 4.5872017E-04 -2.1315141E-04 9.1815785E-05 -2.5840983E-05 2 3.3599149E+04 1.6010898E-03 -7.4549798E-04 3.2083686E-04 -9.0390451E-05 3 7.7280346E+03 5.5985311E-03 -2.6192327E-03 1.1320495E-03 -3.1820022E-04 4 2.3184021E+03 2.0373415E-02 -9.6370105E-03 4.1495154E-03 -1.1718909E-03 5 8.2682456E+02 6.9642884E-02 -3.3667183E-02 1.4681781E-02 -4.1237920E-03 6 3.3080065E+02 1.9315859E-01 -9.7581210E-02 4.2454440E-02 -1.2039362E-02 7 1.4275681E+02 3.7030016E-01 -1.9911526E-01 8.9315802E-02 -2.5086023E-02 8 6.4783917E+01 3.8375579E-01 -1.9580999E-01 8.2663596E-02 -2.3823346E-02 9 2.9797068E+01 1.4148440E-01 1.7998859E-01 -1.0988472E-01 3.4327859E-02 10 1.3896958E+01 6.8100505E-03 5.9762959E-01 -4.1621170E-01 1.2286952E-01 11 6.6413464E+00 1.6477143E-03 3.3775022E-01 -1.0767489E-01 3.1212710E-02 12 2.7844937E+00 -7.5426946E-04 3.0453921E-02 6.7439743E-01 -2.8645349E-01 13 1.1784760E+00 2.1599349E-04 -8.1502775E-04 4.7907309E-01 -1.5249811E-01 14 3.0649495E-01 -6.8147883E-05 2.9191398E-04 2.7962571E-02 6.1019885E-01 15 9.8174682E-02 2.4199966E-05 -1.1449379E-04 -3.4522835E-03 5.3950095E-01 2p+ 3p+ 4p+ 5p+ 1 2.2646808E+05 1.9850722E-05 -9.3388508E-06 4.0435951E-06 -1.1142952E-06 2 3.3599149E+04 2.6461074E-04 -1.2489702E-04 5.3536757E-05 -1.4842674E-05 3 7.7280346E+03 2.2081748E-03 -1.0446428E-03 4.5275743E-04 -1.2479681E-04 4 2.3184021E+03 1.2829140E-02 -6.1279540E-03 2.6337736E-03 -7.3033260E-04 5 8.2682456E+02 5.4841340E-02 -2.6713991E-02 1.1648099E-02 -3.2132979E-03 6 3.3080065E+02 1.7140203E-01 -8.7181604E-02 3.7893107E-02 -1.0535924E-02 7 1.4275681E+02 3.5718459E-01 -1.9362533E-01 8.6718551E-02 -2.3961235E-02 8 6.4783917E+01 4.0312799E-01 -2.1757846E-01 9.3640112E-02 -2.6318354E-02 9 2.9797068E+01 1.6668876E-01 1.3060977E-01 -8.2546483E-02 2.5319219E-02 10 1.3896958E+01 1.0208734E-02 5.8932877E-01 -4.0561313E-01 1.1815671E-01 11 6.6413464E+00 1.9239392E-03 3.7888356E-01 -1.6616317E-01 4.8150792E-02 12 2.7844937E+00 -8.9676330E-04 4.0570908E-02 6.3540118E-01 -2.5778374E-01 13 1.1784760E+00 2.6496952E-04 -1.3287252E-03 5.3119861E-01 -1.9027357E-01 14 3.0649495E-01 -8.3571938E-05 4.5723940E-04 3.8299074E-02 5.5199737E-01 15 9.8174682E-02 2.9688844E-05 -1.7363476E-04 -5.1489898E-03 6.0104132E-01 3d- 4d- 1 1.6487262E+03 1.0248858E-03 -4.0835653E-04 2 4.6903538E+02 8.1762602E-03 -3.3022525E-03 3 1.7638988E+02 4.1204456E-02 -1.6640065E-02 4 7.5444301E+01 1.3787391E-01 -5.7139102E-02 5 3.4735600E+01 3.0226028E-01 -1.2397954E-01 6 1.6511062E+01 4.0704760E-01 -1.5959597E-01 7 8.0014175E+00 2.7351303E-01 -1.0601472E-02 8 3.7477043E+00 6.2073689E-02 3.4188591E-01 9 1.6967141E+00 1.3109367E-03 4.9923148E-01 10 7.2735098E-01 4.4069042E-04 2.8011382E-01 11 2.5935413E-01 -1.3541739E-04 3.7374174E-02 3d+ 4d+ 1 1.6487262E+03 7.2271283E-04 -2.8659380E-04 2 4.6903538E+02 7.1452137E-03 -2.8773498E-03 3 1.7638988E+02 3.8549937E-02 -1.5512162E-02 4 7.5444301E+01 1.3318890E-01 -5.5011994E-02 5 3.4735600E+01 2.9739111E-01 -1.2175718E-01 6 1.6511062E+01 4.0786915E-01 -1.6027830E-01 7 8.0014175E+00 2.8034220E-01 -1.8166937E-02 8 3.7477043E+00 6.5537291E-02 3.3185716E-01 9 1.6967141E+00 1.4732499E-03 5.0041033E-01 10 7.2735098E-01 4.7979276E-04 2.9041871E-01 11 2.5935413E-01 -1.4412169E-04 4.0708010E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.6087644E+07 -1.0089970E-04 3.4872110E-05 -1.5548939E-05 -6.9278544E-06 -2.3071512E-06 2 8.4818553E+06 -3.7552685E-04 1.2974297E-04 -5.7748696E-05 -2.5779217E-05 -8.5871162E-06 3 2.0293532E+06 -9.5165274E-04 3.2910058E-04 -1.4679058E-04 -6.5385624E-05 -2.1774406E-05 4 5.6064998E+05 -2.1816306E-03 7.5454279E-04 -3.3577070E-04 -1.4995898E-04 -4.9954615E-05 5 1.7342363E+05 -4.6069681E-03 1.5975631E-03 -7.1316748E-04 -3.1754352E-04 -1.0574237E-04 6 5.8686586E+04 -9.1436617E-03 3.1813050E-03 -1.4162185E-03 -6.3297854E-04 -2.1088121E-04 7 2.1406436E+04 -1.7040859E-02 5.9951218E-03 -2.6837334E-03 -1.1946770E-03 -3.9783067E-04 8 8.3176518E+03 -2.9568729E-02 1.0627992E-02 -4.7509195E-03 -2.1274654E-03 -7.0899665E-04 9 3.4102686E+03 -4.6187016E-02 1.7495269E-02 -7.9287657E-03 -3.5336915E-03 -1.1770960E-03 10 1.4633990E+03 -6.0533821E-02 2.5473704E-02 -1.1649828E-02 -5.2534312E-03 -1.7529012E-03 11 6.5236309E+02 -5.7115357E-02 2.9914766E-02 -1.4330473E-02 -6.4342774E-03 -2.1468935E-03 12 2.9838404E+02 -2.9026278E-02 1.9459058E-02 -9.6376919E-03 -4.4927273E-03 -1.5075040E-03 13 1.3028957E+02 -4.1915220E-03 -1.1526300E-02 7.2264617E-03 3.6483787E-03 1.2413639E-03 14 6.4305136E+01 2.3560970E-04 -2.9558123E-02 2.5821686E-02 1.2955111E-02 4.4185057E-03 15 3.1682965E+01 -9.3614714E-05 -1.3835974E-02 1.4138559E-02 8.3276797E-03 2.9336205E-03 16 1.3553528E+01 3.1206636E-05 -1.0737725E-03 -1.4741173E-02 -1.2313976E-02 -4.6601257E-03 17 6.8043079E+00 -1.1238972E-05 8.5982293E-05 -1.1272922E-02 -1.2888031E-02 -5.1898765E-03 18 2.5933017E+00 2.7845943E-06 -1.5326032E-05 -6.9556061E-04 7.2449370E-03 4.0328604E-03 19 1.2066062E+00 -8.3336792E-07 5.0362337E-06 5.1986698E-05 5.0986127E-03 3.8911857E-03 20 2.8405604E-01 1.0072252E-07 -5.9422911E-07 -5.5158986E-06 1.0322965E-04 -2.5185734E-03 21 1.0983096E-01 -2.3651799E-08 1.4850065E-07 1.3031939E-06 -1.3222340E-05 -1.1014317E-03 2p- 3p- 4p- 5p- 1 2.2646808E+05 -1.3726045E-04 6.3922422E-05 -2.7614554E-05 7.7583620E-06 2 3.3599149E+04 -6.0649367E-04 2.8334423E-04 -1.2169765E-04 3.4357556E-05 3 7.7280346E+03 -2.1098186E-03 9.8929772E-04 -4.2857264E-04 1.2030530E-04 4 2.3184021E+03 -6.1148832E-03 2.8963335E-03 -1.2461674E-03 3.5221791E-04 5 8.2682456E+02 -1.4628965E-02 7.0761129E-03 -3.0876077E-03 8.6694064E-04 6 3.3080065E+02 -2.7363879E-02 1.3835204E-02 -6.0186205E-03 1.7071387E-03 7 1.4275681E+02 -3.5347501E-02 1.9037153E-02 -8.5429511E-03 2.3992762E-03 8 6.4783917E+01 -2.4857725E-02 1.2738861E-02 -5.3825297E-03 1.5517225E-03 9 2.9797068E+01 -6.0981988E-03 -8.0259630E-03 4.8869378E-03 -1.5261973E-03 10 1.3896958E+01 -9.2109686E-05 -1.8185533E-02 1.2654805E-02 -3.7355162E-03 11 6.6413464E+00 4.2202629E-05 -7.1108465E-03 2.2731543E-03 -6.5930026E-04 12 2.7844937E+00 4.9729986E-05 -4.1714457E-04 -9.1761393E-03 3.8978508E-03 13 1.1784760E+00 2.5746308E-05 5.5868184E-06 -4.2399890E-03 1.3499744E-03 14 3.0649495E-01 1.2903198E-05 -2.0474247E-06 -1.2467345E-04 -2.7564154E-03 15 9.8174682E-02 5.2898454E-06 -2.1600275E-08 9.5160120E-06 -1.3792763E-03 2p+ 3p+ 4p+ 5p+ 1 2.2646808E+05 -3.7296180E-05 1.7490482E-05 -7.5962611E-06 2.0888425E-06 2 3.3599149E+04 -2.8398640E-04 1.3354715E-04 -5.7111640E-05 1.5846111E-05 3 7.7280346E+03 -1.3556946E-03 6.3848733E-04 -2.7667314E-04 7.6221739E-05 4 2.3184021E+03 -4.6834218E-03 2.2274251E-03 -9.5623357E-04 2.6517025E-04 5 8.2682456E+02 -1.2445890E-02 6.0375634E-03 -2.6308657E-03 7.2560731E-04 6 3.3080065E+02 -2.5100754E-02 1.2721200E-02 -5.5250457E-03 1.5361016E-03 7 1.4275681E+02 -3.4697460E-02 1.8752746E-02 -8.3945398E-03 2.3192540E-03 8 6.4783917E+01 -2.6507347E-02 1.4279985E-02 -6.1452735E-03 1.7271454E-03 9 2.9797068E+01 -7.4475656E-03 -5.7898534E-03 3.6577419E-03 -1.1220617E-03 10 1.3896958E+01 -3.1147129E-04 -1.7921157E-02 1.2327882E-02 -3.5908785E-03 11 6.6413464E+00 -4.0640992E-05 -7.9712690E-03 3.4964254E-03 -1.0133606E-03 12 2.7844937E+00 1.2271809E-05 -5.5264748E-04 -8.6498367E-03 3.5089531E-03 13 1.1784760E+00 -2.3639180E-06 1.1750397E-05 -4.7052113E-03 1.6852997E-03 14 3.0649495E-01 3.8066633E-07 -2.0586648E-06 -1.7300286E-04 -2.4932382E-03 15 9.8174682E-02 -7.6769915E-08 4.4128398E-07 1.3162353E-05 -1.5364804E-03 3d- 4d- 1 1.6487262E+03 -3.0618205E-04 1.2186507E-04 2 4.6903538E+02 -1.5770458E-03 6.3715204E-04 3 1.7638988E+02 -5.1190623E-03 2.0670962E-03 4 7.5444301E+01 -1.1416844E-02 4.7319355E-03 5 3.4735600E+01 -1.7100599E-02 7.0156741E-03 6 1.6511062E+01 -1.5926448E-02 6.2468998E-03 7 8.0014175E+00 -7.4536019E-03 2.8966447E-04 8 3.7477043E+00 -1.1537342E-03 -6.3863489E-03 9 1.6967141E+00 -1.3625061E-05 -6.2765904E-03 10 7.2735098E-01 -2.6370712E-06 -2.3058006E-03 11 2.5935413E-01 1.1093728E-06 -1.8358324E-04 3d+ 4d+ 1 1.6487262E+03 -2.6455869E-04 1.0480253E-04 2 4.6903538E+02 -1.4531890E-03 5.8487910E-04 3 1.7638988E+02 -4.8832325E-03 1.9637891E-03 4 7.5444301E+01 -1.1112819E-02 4.5878703E-03 5 3.4735600E+01 -1.6891104E-02 6.9128069E-03 6 1.6511062E+01 -1.5992741E-02 6.2830353E-03 7 8.0014175E+00 -7.6576394E-03 4.9803822E-04 8 3.7477043E+00 -1.2252626E-03 -6.2004850E-03 9 1.6967141E+00 -1.8582788E-05 -6.2922344E-03 10 7.2735098E-01 -3.9323455E-06 -2.3910942E-03 11 2.5935413E-01 7.0338191E-07 -2.0013539E-04 ** I 127 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.7671657E+07 5.1602770E-05 -1.7939309E-05 8.0293479E-06 3.6215394E-06 1.2519187E-06 2 8.8578021E+06 1.6489695E-04 -5.7498740E-05 2.5734396E-05 1.1614263E-05 4.0150610E-06 3 2.1327172E+06 4.6374755E-04 -1.6245556E-04 7.2810848E-05 3.2839573E-05 1.1352610E-05 4 5.9144479E+05 1.2439639E-03 -4.3838731E-04 1.9643772E-04 8.8716637E-05 3.0671869E-05 5 1.8335535E+05 3.3111615E-03 -1.1762632E-03 5.2851676E-04 2.3834793E-04 8.2401703E-05 6 6.2114698E+04 8.7737925E-03 -3.1442983E-03 1.4114176E-03 6.3820633E-04 2.2067502E-04 7 2.2664534E+04 2.2852343E-02 -8.3065959E-03 3.7478768E-03 1.6899386E-03 5.8430648E-04 8 8.8051994E+03 5.7011406E-02 -2.1207353E-02 9.5631666E-03 4.3337976E-03 1.4989302E-03 9 3.6085810E+03 1.3008182E-01 -5.0930890E-02 2.3268271E-02 1.0502930E-02 3.6329584E-03 10 1.5475521E+03 2.5071332E-01 -1.0874167E-01 5.0123661E-02 2.2873769E-02 7.9200104E-03 11 6.8937847E+02 3.4891907E-01 -1.8710083E-01 9.0223799E-02 4.1020859E-02 1.4217045E-02 12 3.1514031E+02 2.6300201E-01 -1.7951779E-01 8.9280152E-02 4.2070324E-02 1.4633914E-02 13 1.3818265E+02 5.8955642E-02 1.5268272E-01 -9.6797445E-02 -4.9519636E-02 -1.7448567E-02 14 6.8167370E+01 -4.3360557E-03 5.7924412E-01 -5.0727899E-01 -2.5792873E-01 -9.1529893E-02 15 3.3564379E+01 2.5580946E-03 3.9689240E-01 -4.1024176E-01 -2.4392452E-01 -8.9029901E-02 16 1.4353186E+01 -1.3225600E-03 4.8458986E-02 6.2438842E-01 5.2991877E-01 2.0836171E-01 17 7.2336632E+00 6.8528399E-04 -5.6270036E-03 6.9204360E-01 8.0260106E-01 3.3867599E-01 18 2.7885074E+00 -2.8374315E-04 1.6410322E-03 7.2223935E-02 -7.0225459E-01 -4.1272881E-01 19 1.3175266E+00 1.2755129E-04 -7.8561215E-04 -8.0804170E-03 -7.5060227E-01 -5.9893266E-01 20 3.2488872E-01 -3.2601032E-05 1.8522601E-04 1.7450970E-03 -3.2877805E-02 7.6613390E-01 21 1.2658044E-01 1.2260514E-05 -6.7325469E-05 -6.6613761E-04 6.2810617E-03 5.2855249E-01 2p- 3p- 4p- 5p- 1 2.5381753E+05 4.5743913E-04 -2.1364019E-04 9.3383170E-05 -2.7908882E-05 2 3.7469968E+04 1.5828609E-03 -7.4077653E-04 3.2352353E-04 -9.6785327E-05 3 8.5427047E+03 5.4529535E-03 -2.5632541E-03 1.1240994E-03 -3.3553416E-04 4 2.5405533E+03 1.9597002E-02 -9.3157396E-03 4.0704205E-03 -1.2207103E-03 5 9.0008666E+02 6.6860980E-02 -3.2441645E-02 1.4354441E-02 -4.2813972E-03 6 3.5840850E+02 1.8692132E-01 -9.4775457E-02 4.1835596E-02 -1.2599731E-02 7 1.5419634E+02 3.6452501E-01 -1.9634708E-01 8.9345978E-02 -2.6651936E-02 8 6.9864870E+01 3.8884993E-01 -2.0258353E-01 8.7341457E-02 -2.6731189E-02 9 3.2230317E+01 1.5069113E-01 1.6113311E-01 -1.0129664E-01 3.3910950E-02 10 1.5010916E+01 8.6884942E-03 5.9495745E-01 -4.2088681E-01 1.3234671E-01 11 7.1847793E+00 1.4937912E-03 3.5311380E-01 -1.2707158E-01 3.9921590E-02 12 3.0168275E+00 -7.1387318E-04 3.3935527E-02 6.7253392E-01 -3.0921227E-01 13 1.2973470E+00 2.0696014E-04 -1.1966633E-03 4.8607487E-01 -1.6507386E-01 14 3.5170722E-01 -6.7037871E-05 3.7370100E-04 2.9540724E-02 6.3203720E-01 15 1.1396545E-01 2.3803853E-05 -1.4708419E-04 -3.2576390E-03 5.2418370E-01 2p+ 3p+ 4p+ 5p+ 1 2.5381753E+05 1.8311160E-05 -8.6604798E-06 3.8076450E-06 -1.1130240E-06 2 3.7469968E+04 2.4236552E-04 -1.1510647E-04 5.0094787E-05 -1.4736426E-05 3 8.5427047E+03 2.0366324E-03 -9.6859951E-04 4.2627208E-04 -1.2463632E-04 4 2.5405533E+03 1.1966087E-02 -5.7487902E-03 2.5085781E-03 -7.3807815E-04 5 9.0008666E+02 5.1799245E-02 -2.5338926E-02 1.1217003E-02 -3.2825265E-03 6 3.5840850E+02 1.6438807E-01 -8.3962891E-02 3.7047583E-02 -1.0930172E-02 7 1.5419634E+02 3.4994452E-01 -1.9010161E-01 8.6412436E-02 -2.5332218E-02 8 6.9864870E+01 4.0768085E-01 -2.2382798E-01 9.8275223E-02 -2.9318765E-02 9 3.2230317E+01 1.7765740E-01 1.0972713E-01 -7.2634739E-02 2.3962440E-02 10 1.5010916E+01 1.2895064E-02 5.8342956E-01 -4.0799469E-01 1.2641500E-01 11 7.1847793E+00 1.7060352E-03 3.9632652E-01 -1.8828480E-01 5.8769160E-02 12 3.0168275E+00 -8.3155434E-04 4.5340687E-02 6.3005265E-01 -2.7641963E-01 13 1.2973470E+00 2.4768585E-04 -1.8275088E-03 5.4067407E-01 -2.0738181E-01 14 3.5170722E-01 -8.0662865E-05 5.7290072E-04 4.0516685E-02 5.7071010E-01 15 1.1396545E-01 2.8663931E-05 -2.1819002E-04 -4.8731765E-03 5.8993927E-01 3d- 4d- 1 1.8014282E+03 9.6513103E-04 -3.9610077E-04 2 5.1072511E+02 7.6607118E-03 -3.1859226E-03 3 1.9181394E+02 3.8882846E-02 -1.6172507E-02 4 8.2052302E+01 1.3170135E-01 -5.6194569E-02 5 3.7828887E+01 2.9425511E-01 -1.2459030E-01 6 1.8029143E+01 4.0601848E-01 -1.6490754E-01 7 8.7722344E+00 2.8335662E-01 -2.2298264E-02 8 4.1427236E+00 6.8363853E-02 3.3528071E-01 9 1.8978754E+00 1.7812876E-03 5.0502769E-01 10 8.2550579E-01 4.4828186E-04 2.8073037E-01 11 2.9852385E-01 -1.4653877E-04 3.6824850E-02 3d+ 4d+ 1 1.8014282E+03 6.6462588E-04 -2.7163429E-04 2 5.1072511E+02 6.6300331E-03 -2.7509217E-03 3 1.9181394E+02 3.6204958E-02 -1.5013705E-02 4 8.2052302E+01 1.2691117E-01 -5.4000707E-02 5 3.7828887E+01 2.8910575E-01 -1.2225563E-01 6 1.8029143E+01 4.0651870E-01 -1.6556263E-01 7 8.7722344E+00 2.9036282E-01 -3.0085157E-02 8 4.1427236E+00 7.2197838E-02 3.2482303E-01 9 1.8978754E+00 2.0022473E-03 5.0631906E-01 10 8.2550579E-01 4.8900825E-04 2.9114830E-01 11 2.9852385E-01 -1.5520483E-04 4.0018683E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.7671657E+07 -1.0349295E-04 3.5905923E-05 -1.6076465E-05 -7.2456536E-06 -2.5046232E-06 2 8.8578021E+06 -3.8480439E-04 1.3347115E-04 -5.9655463E-05 -2.6936239E-05 -9.3118371E-06 3 2.1327172E+06 -9.7133274E-04 3.3719654E-04 -1.5102632E-04 -6.8050725E-05 -2.3523085E-05 4 5.9144479E+05 -2.2202760E-03 7.7095154E-04 -3.4450358E-04 -1.5562327E-04 -5.3800155E-05 5 1.8335535E+05 -4.6779745E-03 1.6283754E-03 -7.2993839E-04 -3.2877906E-04 -1.1364873E-04 6 6.2114698E+04 -9.2699035E-03 3.2379272E-03 -1.4474451E-03 -6.5433656E-04 -2.2622292E-04 7 2.2664534E+04 -1.7259107E-02 6.0937151E-03 -2.7391236E-03 -1.2335121E-03 -4.2641355E-04 8 8.8051994E+03 -2.9938220E-02 1.0797874E-02 -4.8468391E-03 -2.1951647E-03 -7.5911499E-04 9 3.6085810E+03 -4.6810149E-02 1.7770765E-02 -8.0857458E-03 -3.6457477E-03 -1.2608288E-03 10 1.5475521E+03 -6.1549879E-02 2.5919038E-02 -1.1899409E-02 -5.4266708E-03 -1.8786874E-03 11 6.8937847E+02 -5.8533969E-02 3.0540731E-02 -1.4679038E-02 -6.6688189E-03 -2.3109666E-03 12 3.1514031E+02 -3.0206562E-02 2.0199467E-02 -1.0036395E-02 -4.7277911E-03 -1.6444487E-03 13 1.3818265E+02 -4.5094062E-03 -1.1157767E-02 7.0247519E-03 3.5927406E-03 1.2656951E-03 14 6.8167370E+01 2.3363787E-04 -3.0259294E-02 2.6390628E-02 1.3408300E-02 4.7574927E-03 15 3.3564379E+01 -9.6486557E-05 -1.4581991E-02 1.5042470E-02 8.9425412E-03 3.2637877E-03 16 1.4353186E+01 3.2569290E-05 -1.1674895E-03 -1.4935176E-02 -1.2664891E-02 -4.9789176E-03 17 7.2336632E+00 -1.1977075E-05 9.7306696E-05 -1.1774862E-02 -1.3646371E-02 -5.7581709E-03 18 2.7885074E+00 3.0686355E-06 -1.7902501E-05 -7.6186835E-04 7.4103019E-03 4.3543241E-03 19 1.3175266E+00 -9.4404976E-07 5.9456389E-06 5.8229086E-05 5.4456493E-03 4.3448015E-03 20 3.2488872E-01 1.1819544E-07 -7.2847648E-07 -6.1751886E-06 1.1847489E-04 -2.7597118E-03 21 1.2658044E-01 -2.7192021E-08 1.7586049E-07 1.4512955E-06 -1.4134646E-05 -1.1884417E-03 2p- 3p- 4p- 5p- 1 2.5381753E+05 -1.3682821E-04 6.4034176E-05 -2.8070149E-05 8.3745195E-06 2 3.7469968E+04 -5.9866596E-04 2.8120181E-04 -1.2256368E-04 3.6744625E-05 3 8.5427047E+03 -2.0778423E-03 9.7896238E-04 -4.3036845E-04 1.2828240E-04 4 2.5405533E+03 -6.0365704E-03 2.8740710E-03 -1.2548032E-03 3.7663766E-04 5 9.0008666E+02 -1.4527378E-02 7.0530611E-03 -3.1227641E-03 9.3105244E-04 6 3.5840850E+02 -2.7462452E-02 1.3936467E-02 -6.1510851E-03 1.8529644E-03 7 1.5419634E+02 -3.6107459E-02 1.9480215E-02 -8.8681754E-03 2.6451714E-03 8 6.9864870E+01 -2.6141638E-02 1.3679156E-02 -5.9026747E-03 1.8071309E-03 9 3.2230317E+01 -6.7599332E-03 -7.4750398E-03 4.6845897E-03 -1.5676739E-03 10 1.5010916E+01 -1.4847661E-04 -1.8815689E-02 1.3298957E-02 -4.1814317E-03 11 7.1847793E+00 5.0935694E-05 -7.7326264E-03 2.7890661E-03 -8.7660592E-04 12 3.0168275E+00 5.3270641E-05 -4.8364922E-04 -9.5244377E-03 4.3793634E-03 13 1.2973470E+00 2.7922413E-05 9.4023058E-06 -4.5136201E-03 1.5332304E-03 14 3.5170722E-01 1.4195767E-05 -2.5905709E-06 -1.4109924E-04 -3.0584161E-03 15 1.1396545E-01 6.2209529E-06 4.4825170E-08 9.8035612E-06 -1.4438992E-03 2p+ 3p+ 4p+ 5p+ 1 2.5381753E+05 -3.4978169E-05 1.6485277E-05 -7.2719161E-06 2.1206385E-06 2 3.7469968E+04 -2.6866301E-04 1.2713169E-04 -5.5190728E-05 1.6249792E-05 3 8.5427047E+03 -1.2999821E-03 6.1536039E-04 -2.7076685E-04 7.9122593E-05 4 2.5405533E+03 -4.5475184E-03 2.1749600E-03 -9.4791203E-04 2.7891038E-04 5 9.0008666E+02 -1.2232407E-02 5.9578752E-03 -2.6356313E-03 7.7110299E-04 6 3.5840850E+02 -2.5027848E-02 1.2734878E-02 -5.6145796E-03 1.6563532E-03 7 1.5419634E+02 -3.5313700E-02 1.9122951E-02 -8.6878401E-03 2.5465793E-03 8 6.9864870E+01 -2.7835627E-02 1.5251310E-02 -6.6954565E-03 1.9974230E-03 9 3.2230317E+01 -8.2562956E-03 -5.0528568E-03 3.3439459E-03 -1.1034137E-03 10 1.5010916E+01 -4.0894530E-04 -1.8437949E-02 1.2886414E-02 -3.9924304E-03 11 7.1847793E+00 -3.7530867E-05 -8.6729107E-03 4.1206120E-03 -1.2863411E-03 12 3.0168275E+00 1.1864882E-05 -6.4289726E-04 -8.9275327E-03 3.9163527E-03 13 1.2973470E+00 -2.3265154E-06 1.6962480E-05 -5.0249333E-03 1.9272587E-03 14 3.5170722E-01 3.9563091E-07 -2.7637755E-06 -1.9605634E-04 -2.7613468E-03 15 1.1396545E-01 -8.0544393E-08 5.9772117E-07 1.3421551E-05 -1.6248652E-03 3d- 4d- 1 1.8014282E+03 -2.9552308E-04 1.2115398E-04 2 5.1072511E+02 -1.5314710E-03 6.3712772E-04 3 1.9181394E+02 -5.0237193E-03 2.0893131E-03 4 8.2052302E+01 -1.1360436E-02 4.8477466E-03 5 3.7828887E+01 -1.7364421E-02 7.3538209E-03 6 1.8029143E+01 -1.6596763E-02 6.7436196E-03 7 8.7722344E+00 -8.0845928E-03 6.3747572E-04 8 4.1427236E+00 -1.3361191E-03 -6.5843999E-03 9 1.8978754E+00 -2.0412218E-05 -6.7152070E-03 10 8.2550579E-01 -2.7734914E-06 -2.4618260E-03 11 2.9852385E-01 1.3059375E-06 -1.9403362E-04 3d+ 4d+ 1 1.8014282E+03 -2.5308324E-04 1.0332173E-04 2 5.1072511E+02 -1.4040047E-03 5.8220892E-04 3 1.9181394E+02 -4.7776056E-03 1.9799288E-03 4 8.2052302E+01 -1.1037684E-02 4.6941686E-03 5 3.7828887E+01 -1.7132734E-02 7.2419302E-03 6 1.8029143E+01 -1.6655337E-02 6.7813678E-03 7 8.7722344E+00 -8.3046105E-03 8.6233155E-04 8 4.1427236E+00 -1.4191978E-03 -6.3806578E-03 9 1.8978754E+00 -2.6693224E-05 -6.7333509E-03 10 8.2550579E-01 -4.2703692E-06 -2.5537463E-03 11 2.9852385E-01 8.1321188E-07 -2.1108241E-04 ** Xe 132 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.7957833E+07 5.4797381E-05 -1.9124580E-05 8.5941300E-06 3.9186062E-06 1.3975328E-06 2 9.0429274E+06 1.7340336E-04 -6.0705296E-05 2.7278716E-05 1.2445519E-05 4.4385731E-06 3 2.1995941E+06 4.8283415E-04 -1.6981788E-04 7.6416197E-05 3.4842634E-05 1.2427012E-05 4 6.1411788E+05 1.2816047E-03 -4.5352548E-04 2.0404604E-04 9.3157252E-05 3.3225406E-05 5 1.9125895E+05 3.3765273E-03 -1.2046012E-03 5.4344364E-04 2.4776935E-04 8.8379319E-05 6 6.4987619E+04 8.8634067E-03 -3.1909316E-03 1.4382851E-03 6.5744002E-04 2.3450126E-04 7 2.3758919E+04 2.2907998E-02 -8.3652603E-03 3.7898626E-03 1.7277113E-03 6.1638577E-04 8 9.2413859E+03 5.6823565E-02 -2.1236964E-02 9.6167380E-03 4.4055095E-03 1.5717160E-03 9 3.7898848E+03 1.2921761E-01 -5.0793907E-02 2.3300200E-02 1.0633903E-02 3.7958307E-03 10 1.6258088E+03 2.4890627E-01 -1.0826411E-01 5.0106452E-02 2.3113934E-02 8.2541712E-03 11 7.2429231E+02 3.4768045E-01 -1.8629299E-01 9.0157334E-02 4.1450170E-02 1.4830003E-02 12 3.3114798E+02 2.6468183E-01 -1.8031167E-01 8.9975591E-02 4.2837463E-02 1.5354833E-02 13 1.4574504E+02 6.0700971E-02 1.4656177E-01 -9.3499600E-02 -4.8422744E-02 -1.7558651E-02 14 7.1880333E+01 -4.1661706E-03 5.7650895E-01 -5.0518257E-01 -2.6001195E-01 -9.5410762E-02 15 3.5392748E+01 2.5488451E-03 4.0305863E-01 -4.1976797E-01 -2.5219266E-01 -9.4832482E-02 16 1.5157165E+01 -1.3344758E-03 5.0412295E-02 6.1724067E-01 5.3206645E-01 2.1601312E-01 17 7.6670436E+00 7.0238353E-04 -5.9997746E-03 6.9860792E-01 8.2089975E-01 3.6064097E-01 18 2.9877348E+00 -2.9795473E-04 1.7886278E-03 7.5592791E-02 -6.9569813E-01 -4.2883650E-01 19 1.4315331E+00 1.3623689E-04 -8.6208391E-04 -8.5583548E-03 -7.6389844E-01 -6.3298814E-01 20 3.6740073E-01 -3.5094398E-05 2.0661509E-04 1.8023173E-03 -3.4922541E-02 7.8220925E-01 21 1.4401186E-01 1.2883636E-05 -7.2786611E-05 -6.8383941E-04 6.1966180E-03 5.3198911E-01 2p- 3p- 4p- 5p- 1 2.8177375E+05 4.5909765E-04 -2.1546830E-04 9.5532290E-05 -2.9796622E-05 2 4.1421288E+04 1.5766144E-03 -7.4147355E-04 3.2848715E-04 -1.0255343E-04 3 9.3685635E+03 5.3594668E-03 -2.5310185E-03 1.1257878E-03 -3.5070945E-04 4 2.7634606E+03 1.9031035E-02 -9.0900011E-03 4.0288995E-03 -1.2609710E-03 5 9.7289404E+02 6.4746951E-02 -3.1535982E-02 1.4152648E-02 -4.4054098E-03 6 3.8562388E+02 1.8208580E-01 -9.2668614E-02 4.1488859E-02 -1.3042250E-02 7 1.6539723E+02 3.5991440E-01 -1.9429519E-01 8.9662931E-02 -2.7918121E-02 8 7.4809418E+01 3.9263937E-01 -2.0767572E-01 9.1213582E-02 -2.9139985E-02 9 3.4569451E+01 1.5802699E-01 1.4728375E-01 -9.5308061E-02 3.3603695E-02 10 1.6078811E+01 1.0237098E-02 5.9302901E-01 -4.2653363E-01 1.4044662E-01 11 7.7064841E+00 1.3658203E-03 3.6381997E-01 -1.4047891E-01 4.6598312E-02 12 3.2441879E+00 -6.8241170E-04 3.6552629E-02 6.7352787E-01 -3.2972270E-01 13 1.4163881E+00 2.0108695E-04 -1.5280350E-03 4.8924809E-01 -1.7322998E-01 14 3.9820534E-01 -6.7401000E-05 4.6453949E-04 2.9668368E-02 6.5066428E-01 15 1.3022223E-01 2.2549194E-05 -1.5431171E-04 -3.8421390E-03 5.1154824E-01 2p+ 3p+ 4p+ 5p+ 1 2.8177375E+05 1.7122524E-05 -8.1407438E-06 3.6329623E-06 -1.1058234E-06 2 4.1421288E+04 2.2488998E-04 -1.0744053E-04 4.7457459E-05 -1.4541375E-05 3 9.3685635E+03 1.9002754E-03 -9.0848699E-04 4.0583727E-04 -1.2356373E-04 4 2.7634606E+03 1.1277271E-02 -5.4482674E-03 2.4129753E-03 -7.3947637E-04 5 9.7289404E+02 4.9366572E-02 -2.4254682E-02 1.0897300E-02 -3.3208602E-03 6 3.8562388E+02 1.5875041E-01 -8.1429463E-02 3.6463964E-02 -1.1206236E-02 7 1.6539723E+02 3.4399952E-01 -1.8737232E-01 8.6425869E-02 -2.6388301E-02 8 7.4809418E+01 4.1110282E-01 -2.2866340E-01 1.0224526E-01 -3.1786462E-02 9 3.4569451E+01 1.8664767E-01 9.3777684E-02 -6.5191714E-02 2.2737422E-02 10 1.6078811E+01 1.5177478E-02 5.7886133E-01 -4.1174679E-01 1.3326275E-01 11 7.7064841E+00 1.5249057E-03 4.0902174E-01 -2.0481324E-01 6.7311799E-02 12 3.2441879E+00 -7.7921002E-04 4.9083190E-02 6.2810527E-01 -2.9287818E-01 13 1.4163881E+00 2.3466531E-04 -2.2646190E-03 5.4652530E-01 -2.1992694E-01 14 3.9820534E-01 -7.9333592E-05 6.9304686E-04 4.1103093E-02 5.8658197E-01 15 1.3022223E-01 2.6625463E-05 -2.3003218E-04 -5.6392309E-03 5.8120684E-01 3d- 4d- 1 1.9595965E+03 9.1559826E-04 -3.8591281E-04 2 5.5367274E+02 7.2268867E-03 -3.0855193E-03 3 2.0764596E+02 3.6901489E-02 -1.5761229E-02 4 8.8821723E+01 1.2635081E-01 -5.5340256E-02 5 4.0992534E+01 2.8710563E-01 -1.2507334E-01 6 1.9581620E+01 4.0473926E-01 -1.6961949E-01 7 9.5610705E+00 2.9185096E-01 -3.2737103E-02 8 4.5482515E+00 7.4202041E-02 3.2925413E-01 9 2.1052478E+00 2.2896036E-03 5.1024591E-01 10 9.2704406E-01 4.4529062E-04 2.8132956E-01 11 3.3924233E-01 -1.5538898E-04 3.6423410E-02 3d+ 4d+ 1 1.9595965E+03 6.1570294E-04 -2.5856055E-04 2 5.5367274E+02 6.1932605E-03 -2.6395376E-03 3 2.0764596E+02 3.4194103E-02 -1.4568758E-02 4 8.8821723E+01 1.2144916E-01 -5.3072919E-02 5 4.0992534E+01 2.8168300E-01 -1.2261803E-01 6 1.9581620E+01 4.0493904E-01 -1.7024423E-01 7 9.5610705E+00 2.9902526E-01 -4.0768835E-02 8 4.5482515E+00 7.8397238E-02 3.1833644E-01 9 2.1052478E+00 2.5741856E-03 5.1165185E-01 10 9.2704406E-01 4.8742848E-04 2.9190453E-01 11 3.3924233E-01 -1.6389297E-04 3.9521501E-02 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 4.7957833E+07 -1.0743835E-04 3.7418937E-05 -1.6820903E-05 -7.6640158E-06 -2.7333329E-06 2 9.0429274E+06 -3.9898166E-04 1.3893238E-04 -6.2345197E-05 -2.8457303E-05 -1.0148430E-05 3 2.1995941E+06 -1.0012679E-03 3.4893463E-04 -1.5690774E-04 -7.1474405E-05 -2.5491337E-05 4 6.1411788E+05 -2.2785506E-03 7.9432343E-04 -3.5637363E-04 -1.6273649E-04 -5.8034535E-05 5 1.9125895E+05 -4.7829738E-03 1.6713821E-03 -7.5220649E-04 -3.4252223E-04 -1.2216479E-04 6 6.4987619E+04 -9.4512523E-03 3.3144227E-03 -1.4876164E-03 -6.7980143E-04 -2.4243309E-04 7 2.3758919E+04 -1.7558581E-02 6.2228493E-03 -2.8083059E-03 -1.2785612E-03 -4.5606849E-04 8 9.2413859E+03 -3.0412311E-02 1.1009453E-02 -4.9617339E-03 -2.2715675E-03 -8.1024196E-04 9 3.7898848E+03 -4.7531128E-02 1.8096071E-02 -8.2659200E-03 -3.7681117E-03 -1.3448048E-03 10 1.6258088E+03 -6.2579927E-02 2.6397561E-02 -1.2166287E-02 -5.6083314E-03 -2.0024228E-03 11 7.2429231E+02 -5.9799011E-02 3.1142692E-02 -1.5020018E-02 -6.8999547E-03 -2.4683077E-03 12 3.3114798E+02 -3.1188599E-02 2.0795702E-02 -1.0366413E-02 -4.9337968E-03 -1.7684070E-03 13 1.4574504E+02 -4.7738639E-03 -1.0983856E-02 6.9560130E-03 3.6015276E-03 1.3056074E-03 14 7.1880333E+01 2.3083851E-04 -3.0924469E-02 2.6981475E-02 1.3875904E-02 5.0909903E-03 15 3.5392748E+01 -9.8848199E-05 -1.5208982E-02 1.5805802E-02 9.4941985E-03 3.5699719E-03 16 1.5157165E+01 3.3814059E-05 -1.2482623E-03 -1.5170685E-02 -1.3065680E-02 -5.3035084E-03 17 7.6670436E+00 -1.2655406E-05 1.0675965E-04 -1.2238126E-02 -1.4369762E-02 -6.3126751E-03 18 2.9877348E+00 3.3401146E-06 -2.0166025E-05 -8.2539837E-04 7.5987077E-03 4.6829291E-03 19 1.4315331E+00 -1.0525804E-06 6.7867139E-06 6.4271037E-05 5.7769947E-03 4.7864147E-03 20 3.6740073E-01 1.3556806E-07 -8.5839769E-07 -6.7756278E-06 1.3382817E-04 -2.9962934E-03 21 1.4401186E-01 -3.0549362E-08 2.0072288E-07 1.5872858E-06 -1.4875735E-05 -1.2758800E-03 2p- 3p- 4p- 5p- 1 2.8177375E+05 -1.3748226E-04 6.4647653E-05 -2.8744497E-05 8.9498648E-06 2 4.1421288E+04 -5.9570690E-04 2.8125488E-04 -1.2435100E-04 3.8907388E-05 3 9.3685635E+03 -2.0615219E-03 9.7583519E-04 -4.3515922E-04 1.3536516E-04 4 2.7634606E+03 -5.9984616E-03 2.8702154E-03 -1.2710999E-03 3.9820044E-04 5 9.7289404E+02 -1.4503273E-02 7.0684880E-03 -3.1743749E-03 9.8771041E-04 6 3.8562388E+02 -2.7650147E-02 1.4084862E-02 -6.3051526E-03 1.9825551E-03 7 1.6539723E+02 -3.6866849E-02 1.9934738E-02 -9.2036503E-03 2.8654736E-03 8 7.4809418E+01 -2.7297481E-02 1.4502681E-02 -6.3752555E-03 2.0374009E-03 9 3.4569451E+01 -7.3433122E-03 -7.0782787E-03 4.5640146E-03 -1.6084848E-03 10 1.6078811E+01 -1.9754787E-04 -1.9410270E-02 1.3947584E-02 -4.5920946E-03 11 7.7064841E+00 5.9417997E-05 -8.2515028E-03 3.1928549E-03 -1.0595186E-03 12 3.2441879E+00 5.6830583E-05 -5.4010119E-04 -9.8909720E-03 4.8424301E-03 13 1.4163881E+00 3.0111262E-05 1.3036570E-05 -4.7468162E-03 1.6811784E-03 14 3.9820534E-01 1.5522715E-05 -3.2253310E-06 -1.5069581E-04 -3.3502323E-03 15 1.3022223E-01 7.2086560E-06 4.7688473E-08 1.2295946E-05 -1.5062709E-03 2p+ 3p+ 4p+ 5p+ 1 2.8177375E+05 -3.3145812E-05 1.5698790E-05 -7.0309062E-06 2.1345125E-06 2 4.1421288E+04 -2.5646847E-04 1.2208672E-04 -5.3784140E-05 1.6496177E-05 3 9.3685635E+03 -1.2562412E-03 5.9764452E-04 -2.6693504E-04 8.1220090E-05 4 2.7634606E+03 -4.4453367E-03 2.1376702E-03 -9.4551405E-04 2.8977735E-04 5 9.7289404E+02 -1.2088331E-02 5.9122587E-03 -2.6543908E-03 8.0868842E-04 6 3.8562388E+02 -2.5040867E-02 1.2793563E-02 -5.7240173E-03 1.7589838E-03 7 1.6539723E+02 -3.5936661E-02 1.9509138E-02 -8.9934643E-03 2.7455971E-03 8 7.4809418E+01 -2.9043384E-02 1.6118930E-02 -7.2062001E-03 2.2402210E-03 9 3.4569451E+01 -8.9843882E-03 -4.4663494E-03 3.1048777E-03 -1.0832756E-03 10 1.6078811E+01 -4.9822809E-04 -1.8932018E-02 1.3458332E-02 -4.3553800E-03 11 7.7064841E+00 -3.4790676E-05 -9.2702708E-03 4.6421581E-03 -1.5258388E-03 12 3.2441879E+00 1.1549626E-05 -7.2173876E-04 -9.2290682E-03 4.3029537E-03 13 1.4163881E+00 -2.3113668E-06 2.1965379E-05 -5.3072957E-03 2.1355720E-03 14 3.9820534E-01 4.1608605E-07 -3.5579297E-06 -2.1163558E-04 -3.0199288E-03 15 1.3022223E-01 -8.0736822E-08 6.7326357E-07 1.6602092E-05 -1.7111859E-03 3d- 4d- 1 1.9595965E+03 -2.8671389E-04 1.2071372E-04 2 5.5367274E+02 -1.4939344E-03 6.3806947E-04 3 2.0764596E+02 -4.9468269E-03 2.1126697E-03 4 8.8821723E+01 -1.1326449E-02 4.9613191E-03 5 4.0992534E+01 -1.7627681E-02 7.6809357E-03 6 1.9581620E+01 -1.7238154E-02 7.2272444E-03 7 9.5610705E+00 -8.6925116E-03 9.7684020E-04 8 4.5482515E+00 -1.5196648E-03 -6.7747440E-03 9 2.1052478E+00 -2.8346397E-05 -7.1455247E-03 10 9.2704406E-01 -2.8002259E-06 -2.6143639E-03 11 3.3924233E-01 1.5045161E-06 -2.0455492E-04 3d+ 4d+ 1 1.9595965E+03 -2.4332985E-04 1.0206576E-04 2 5.5367274E+02 -1.3625182E-03 5.8033525E-04 3 2.0764596E+02 -4.6898751E-03 1.9967892E-03 4 8.8821723E+01 -1.0984284E-02 4.7974936E-03 5 4.0992534E+01 -1.7373369E-02 7.5592481E-03 6 1.9581620E+01 -1.7288976E-02 7.2664670E-03 7 9.5610705E+00 -8.9286198E-03 1.2192614E-03 8 4.5482515E+00 -1.6147905E-03 -6.5518940E-03 9 2.1052478E+00 -3.6130087E-05 -7.1663511E-03 10 9.2704406E-01 -4.5111531E-06 -2.7133011E-03 11 3.3924233E-01 9.1593379E-07 -2.2222376E-04 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** In 115 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.4738592E+07 4.1296643E-05 -1.4135167E-05 6.2158937E-06 -2.6684949E-06 7.4187113E-07 2 7.8474695E+06 1.3733844E-04 -4.7140705E-05 2.0728029E-05 -8.9050394E-06 2.4762432E-06 3 1.8184515E+06 4.0254293E-04 -1.3880831E-04 6.1120787E-05 -2.6235772E-05 7.2933030E-06 4 4.9216005E+05 1.1281412E-03 -3.9107956E-04 1.7213391E-04 -7.4008994E-05 2.0584144E-05 5 1.5018349E+05 3.1322026E-03 -1.0941294E-03 4.8291302E-04 -2.0721779E-04 5.7595380E-05 6 5.0383060E+04 8.6161326E-03 -3.0322611E-03 1.3365785E-03 -5.7542750E-04 1.6010177E-04 7 1.8278359E+04 2.3112812E-02 -8.2521445E-03 3.6566942E-03 -1.5683765E-03 4.3582145E-04 8 7.0794732E+03 5.8853121E-02 -2.1498665E-02 9.5184294E-03 -4.1077257E-03 1.1435872E-03 9 2.8975626E+03 1.3560200E-01 -5.2351364E-02 2.3496520E-02 -1.0084793E-02 2.8020456E-03 10 1.2424679E+03 2.6045105E-01 -1.1200774E-01 5.0734480E-02 -2.2057676E-02 6.1509083E-03 11 5.5388025E+02 3.5354984E-01 -1.9134064E-01 9.0866910E-02 -3.9246171E-02 1.0909354E-02 12 2.5331624E+02 2.5190132E-01 -1.7263374E-01 8.4591793E-02 -3.8130776E-02 1.0725169E-02 13 1.0901455E+02 5.0080598E-02 1.9027617E-01 -1.1839906E-01 5.7480362E-02 -1.6425375E-02 14 5.3740594E+01 -4.8960145E-03 5.9205742E-01 -5.2109802E-01 2.5057953E-01 -7.0792075E-02 15 2.6474538E+01 2.5462805E-03 3.5961325E-01 -3.5460557E-01 2.0327540E-01 -6.0182479E-02 16 1.1318566E+01 -1.2513722E-03 3.8354623E-02 6.6335414E-01 -5.2958677E-01 1.6655674E-01 17 5.6069504E+00 5.9606561E-04 -3.7010511E-03 6.5495901E-01 -7.1374608E-01 2.3235507E-01 18 2.0379705E+00 -2.1635786E-04 9.4196353E-04 5.6343210E-02 7.5537831E-01 -3.3335628E-01 19 8.9763757E-01 8.8563675E-05 -4.4621820E-04 -6.0495328E-03 6.6956597E-01 -4.1236871E-01 20 1.7038742E-01 -2.0637820E-05 9.1097522E-05 1.3595313E-03 2.3030769E-02 6.6223931E-01 21 6.3036323E-02 8.6507121E-06 -3.8015632E-05 -5.4934706E-04 -6.0506640E-03 5.3503454E-01 2p 3p 4p 5p 1 1.5281163E+05 1.5663872E-04 -7.1881762E-05 2.9434916E-05 -5.9054925E-06 2 2.3110286E+04 7.7371921E-04 -3.5606202E-04 1.4543100E-04 -2.9213678E-05 3 5.4831530E+03 4.0335510E-03 -1.8698217E-03 7.6905677E-04 -1.5418783E-04 4 1.6924998E+03 1.9047009E-02 -8.9091141E-03 3.6437583E-03 -7.3272037E-04 5 6.1634289E+02 7.2790678E-02 -3.4969864E-02 1.4497627E-02 -2.9080433E-03 6 2.5022695E+02 2.0737463E-01 -1.0403099E-01 4.3045018E-02 -8.6772280E-03 7 1.0897990E+02 3.8703842E-01 -2.0864675E-01 8.8983618E-02 -1.7878640E-02 8 4.9652929E+01 3.7219857E-01 -1.7835510E-01 7.0310035E-02 -1.4248297E-02 9 2.2431192E+01 1.1846147E-01 2.3785399E-01 -1.3430831E-01 2.8693462E-02 10 1.0455260E+01 1.5717139E-03 6.0682102E-01 -4.0026935E-01 8.4445630E-02 11 4.9364717E+00 2.3404144E-03 2.8650677E-01 -4.6991785E-02 6.2673956E-03 12 2.0840617E+00 -9.9344350E-04 1.9995675E-02 6.6927727E-01 -1.8357832E-01 13 8.3843103E-01 2.7592217E-04 4.7878916E-04 4.6488669E-01 -1.1620514E-01 14 1.8829216E-01 -7.6014978E-05 3.2108222E-05 2.7531170E-02 4.3873042E-01 15 5.5011528E-02 2.6424165E-05 -1.1169357E-05 -4.5402497E-03 6.9049811E-01 3d 4d 1 1.2160457E+03 1.1190488E-03 -3.9624029E-04 2 3.4956673E+02 9.9380645E-03 -3.5713010E-03 3 1.3184552E+02 5.0086285E-02 -1.7994633E-02 4 5.6284409E+01 1.6192031E-01 -5.9724615E-02 5 2.5731221E+01 3.3185162E-01 -1.2002374E-01 6 1.2090868E+01 4.0777506E-01 -1.3851844E-01 7 5.7582557E+00 2.3450240E-01 3.2495339E-02 8 2.6104024E+00 4.0980777E-02 3.6144916E-01 9 1.1246612E+00 3.5301958E-04 4.7677347E-01 10 4.5107930E-01 3.1604363E-04 2.8400727E-01 11 1.5088292E-01 -8.0247689E-05 4.3926985E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.4738592E+07 2.1485540E-06 -7.3408372E-07 3.2292370E-07 -1.3851364E-07 3.8498154E-08 2 7.8474695E+06 1.9153539E-05 -6.5402406E-06 2.8719895E-06 -1.2346052E-06 3.4338386E-07 3 1.8184515E+06 1.0262031E-04 -3.5083120E-05 1.5438650E-05 -6.6199308E-06 1.8397226E-06 4 4.9216005E+05 4.5816930E-04 -1.5659544E-04 6.8747164E-05 -2.9569208E-05 8.2255682E-06 5 1.5018349E+05 1.7700660E-03 -6.0681950E-04 2.6726325E-04 -1.1454201E-04 3.1826498E-05 6 5.0383060E+04 6.1130171E-03 -2.1017330E-03 9.2300223E-04 -3.9734193E-04 1.1056034E-04 7 1.8278359E+04 1.9022236E-02 -6.6191510E-03 2.9235386E-03 -1.2524691E-03 3.4794436E-04 8 7.0794732E+03 5.3217051E-02 -1.8922982E-02 8.3451647E-03 -3.5999057E-03 1.0021840E-03 9 2.8975626E+03 1.2987087E-01 -4.8827645E-02 2.1839852E-02 -9.3649287E-03 2.6015219E-03 10 1.2424679E+03 2.5808308E-01 -1.0823219E-01 4.8860684E-02 -2.1232471E-02 5.9204006E-03 11 5.5388025E+02 3.5717456E-01 -1.8887937E-01 8.9453740E-02 -3.8611861E-02 1.0731774E-02 12 2.5331624E+02 2.5706813E-01 -1.7326010E-01 8.4852867E-02 -3.8237484E-02 1.0754344E-02 13 1.0901455E+02 5.1335524E-02 1.8821143E-01 -1.1648287E-01 5.6534064E-02 -1.6155444E-02 14 5.3740594E+01 -5.0295201E-03 5.9287671E-01 -5.2005230E-01 2.4993250E-01 -7.0602559E-02 15 2.6474538E+01 2.6105483E-03 3.6064144E-01 -3.5512977E-01 2.0355346E-01 -6.0260992E-02 16 1.1318566E+01 -1.2808364E-03 3.8586920E-02 6.6295283E-01 -5.2891986E-01 1.6632859E-01 17 5.6069504E+00 6.0977659E-04 -3.7860309E-03 6.5549771E-01 -7.1394150E-01 2.3241688E-01 18 2.0379705E+00 -2.2052677E-04 9.8866423E-04 5.6319555E-02 7.5535082E-01 -3.3330130E-01 19 8.9763757E-01 8.9832812E-05 -4.7395318E-04 -6.0156746E-03 6.6963768E-01 -4.1238023E-01 20 1.7038742E-01 -2.0574763E-05 1.0536971E-04 1.3398416E-03 2.3034983E-02 6.6223527E-01 21 6.3036323E-02 8.4238078E-06 -4.8308533E-05 -5.3464880E-04 -6.0525467E-03 5.3503999E-01 2p 3p 4p 5p 1 1.5281163E+05 2.3865671E-05 -1.0986997E-05 4.5182768E-06 -9.0531458E-07 2 2.3110286E+04 3.5801430E-04 -1.6474686E-04 6.7132249E-05 -1.3497105E-05 3 5.4831530E+03 3.0065702E-03 -1.3922847E-03 5.7311130E-04 -1.1485585E-04 4 1.6924998E+03 1.6990940E-02 -7.9300275E-03 3.2406158E-03 -6.5172144E-04 5 6.1634289E+02 6.9504460E-02 -3.3319944E-02 1.3810736E-02 -2.7699198E-03 6 2.5022695E+02 2.0358775E-01 -1.0194331E-01 4.2163254E-02 -8.4993876E-03 7 1.0897990E+02 3.8440751E-01 -2.0698126E-01 8.8260091E-02 -1.7732483E-02 8 4.9652929E+01 3.7115246E-01 -1.7796180E-01 7.0186570E-02 -1.4224359E-02 9 2.2431192E+01 1.1736725E-01 2.3759074E-01 -1.3403544E-01 2.8632751E-02 10 1.0455260E+01 5.2243037E-04 6.0695017E-01 -4.0015427E-01 8.4417412E-02 11 4.9364717E+00 1.3040917E-03 2.8674435E-01 -4.7186329E-02 6.3143251E-03 12 2.0840617E+00 -1.7952200E-03 2.0058530E-02 6.6916918E-01 -1.8354350E-01 13 8.3843103E-01 -6.6607838E-04 5.4570129E-04 4.6480675E-01 -1.1618976E-01 14 1.8829216E-01 -9.2510168E-04 8.9806249E-05 2.7430383E-02 4.3874127E-01 15 5.5011528E-02 -5.0015517E-04 2.5701664E-05 -4.6032124E-03 6.9050789E-01 3d 4d 1 1.2160457E+03 9.8956432E-04 -3.5008273E-04 2 3.4956673E+02 9.5720369E-03 -3.4392728E-03 3 1.3184552E+02 4.9344405E-02 -1.7722500E-02 4 5.6284409E+01 1.6098030E-01 -5.9367428E-02 5 2.5731221E+01 3.3107053E-01 -1.1972834E-01 6 1.2090868E+01 4.0741885E-01 -1.3840265E-01 7 5.7582557E+00 2.3437519E-01 3.2447643E-02 8 2.6104024E+00 4.0881615E-02 3.6138106E-01 9 1.1246612E+00 2.8644266E-04 4.7674853E-01 10 4.5107930E-01 2.8012593E-04 2.8399800E-01 11 1.5088292E-01 -1.0337254E-04 4.3920320E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.4738592E+07 1.1255157E-04 -3.9026443E-05 1.7198718E-05 -7.3819392E-06 2.0506221E-06 2 7.8474695E+06 3.3204246E-04 -1.1508047E-04 5.0541403E-05 -2.1745229E-05 6.0518214E-06 3 1.8184515E+06 8.2845072E-04 -2.8825522E-04 1.2724727E-04 -5.4580767E-05 1.5155853E-05 4 4.9216005E+05 1.9455561E-03 -6.7663082E-04 2.9736157E-04 -1.2800683E-04 3.5641372E-05 5 1.5018349E+05 4.5426841E-03 -1.5891189E-03 7.0315529E-04 -3.0146898E-04 8.3694394E-05 6 5.0383060E+04 1.0832390E-02 -3.7982736E-03 1.6727340E-03 -7.2055662E-04 2.0065945E-04 7 1.8278359E+04 2.6440147E-02 -9.4077828E-03 4.1749243E-03 -1.7905144E-03 4.9744881E-04 8 7.0794732E+03 6.3677469E-02 -2.3176307E-02 1.0257895E-02 -4.4269112E-03 1.2327238E-03 9 2.8975626E+03 1.4201978E-01 -5.4791950E-02 2.4594141E-02 -1.0546625E-02 2.9292579E-03 10 1.2424679E+03 2.6683816E-01 -1.1494665E-01 5.2118304E-02 -2.2679640E-02 6.3260718E-03 11 5.5388025E+02 3.5636589E-01 -1.9396950E-01 9.2230800E-02 -3.9825317E-02 1.1069322E-02 12 2.5331624E+02 2.5052679E-01 -1.7267785E-01 8.4728522E-02 -3.8235517E-02 1.0758766E-02 13 1.0901455E+02 4.8980012E-02 1.9230848E-01 -1.1943342E-01 5.7982296E-02 -1.6570179E-02 14 5.3740594E+01 -5.1332975E-03 5.9325468E-01 -5.2257008E-01 2.5130913E-01 -7.0999959E-02 15 2.6474538E+01 2.5477902E-03 3.5913245E-01 -3.5417563E-01 2.0315006E-01 -6.0151324E-02 16 1.1318566E+01 -1.2717906E-03 3.8233344E-02 6.6395516E-01 -5.3010458E-01 1.6672205E-01 17 5.6069504E+00 5.9934887E-04 -3.7535880E-03 6.5490772E-01 -7.1372803E-01 2.3235257E-01 18 2.0379705E+00 -2.2044934E-04 9.5768546E-04 5.6274386E-02 7.5553954E-01 -3.3342261E-01 19 8.9763757E-01 8.8289671E-05 -4.5259721E-04 -6.0469103E-03 6.6953907E-01 -4.1236043E-01 20 1.7038742E-01 -2.0698925E-05 9.1189152E-05 1.3608751E-03 2.3025716E-02 6.6224800E-01 21 6.3036323E-02 8.6068055E-06 -3.8154726E-05 -5.5010201E-04 -6.0505978E-03 5.3503277E-01 2p 3p 4p 5p 1 1.5281163E+05 1.7029321E-04 -7.7900034E-05 3.2022697E-05 -6.4158768E-06 2 2.3110286E+04 8.3827036E-04 -3.8457762E-04 1.5652002E-04 -3.1469494E-05 3 5.4831530E+03 4.2387323E-03 -1.9623010E-03 8.0817810E-04 -1.6195229E-04 4 1.6924998E+03 1.9598760E-02 -9.1590506E-03 3.7432187E-03 -7.5286660E-04 5 6.1634289E+02 7.3968243E-02 -3.5531377E-02 1.4733745E-02 -2.9551118E-03 6 2.5022695E+02 2.0907772E-01 -1.0490819E-01 4.3405608E-02 -8.7504099E-03 7 1.0897990E+02 3.8834681E-01 -2.0947229E-01 8.9355759E-02 -1.7953190E-02 8 4.9652929E+01 3.7233099E-01 -1.7844046E-01 7.0336648E-02 -1.4254872E-02 9 2.2431192E+01 1.1825488E-01 2.3833949E-01 -1.3454519E-01 2.8743974E-02 10 1.0455260E+01 1.5411124E-03 6.0703388E-01 -4.0046347E-01 8.4487157E-02 11 4.9364717E+00 2.3376182E-03 2.8643726E-01 -4.6893888E-02 6.2463342E-03 12 2.0840617E+00 -9.9344734E-04 1.9983748E-02 6.6934061E-01 -1.8359760E-01 13 8.3843103E-01 2.7578162E-04 4.7668583E-04 4.6487887E-01 -1.1620253E-01 14 1.8829216E-01 -7.6027393E-05 3.2529221E-05 2.7529051E-02 4.3873456E-01 15 5.5011528E-02 2.6418318E-05 -1.1297589E-05 -4.5402545E-03 6.9049834E-01 3d 4d 1 1.2160457E+03 1.1465727E-03 -4.0566280E-04 2 3.4956673E+02 1.0046846E-02 -3.6106487E-03 3 1.3184552E+02 5.0357409E-02 -1.8091261E-02 4 5.6284409E+01 1.6233997E-01 -5.9883240E-02 5 2.5731221E+01 3.3222118E-01 -1.2015941E-01 6 1.2090868E+01 4.0792673E-01 -1.3857727E-01 7 5.7582557E+00 2.3449200E-01 3.2539139E-02 8 2.6104024E+00 4.0969891E-02 3.6149977E-01 9 1.1246612E+00 3.5200637E-04 4.7678756E-01 10 4.5107930E-01 3.1612912E-04 2.8400711E-01 11 1.5088292E-01 -8.0283814E-05 4.3926372E-02 ** Sn 120 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.5245447E+07 4.3792918E-05 -1.5047975E-05 6.6484141E-06 2.8921621E-06 8.6871022E-07 2 8.0691358E+06 1.4406455E-04 -4.9645331E-05 2.1931967E-05 9.5455133E-06 2.8673411E-06 3 1.8903023E+06 4.1756446E-04 -1.4455868E-04 6.3953088E-05 2.7817046E-05 8.3550874E-06 4 5.1516459E+05 1.1566127E-03 -4.0261368E-04 1.7805113E-04 7.7555753E-05 2.3300825E-05 5 1.5791787E+05 3.1756896E-03 -1.1140147E-03 4.9402793E-04 2.1481596E-04 6.4513910E-05 6 5.3129954E+04 8.6509486E-03 -3.0584549E-03 1.3546295E-03 5.9082528E-04 1.7756643E-04 7 1.9309089E+04 2.3030588E-02 -8.2596283E-03 3.6775754E-03 1.5985042E-03 4.7997828E-04 8 7.4864355E+03 5.8338107E-02 -2.1407406E-02 9.5240603E-03 4.1636597E-03 1.2520335E-03 9 3.0658105E+03 1.3409120E-01 -5.1945328E-02 2.3424165E-02 1.0189847E-02 3.0596720E-03 10 1.3148910E+03 2.5783364E-01 -1.1110287E-01 5.0557648E-02 2.2263581E-02 6.7049659E-03 11 5.8613304E+02 3.5242380E-01 -1.9020977E-01 9.0697729E-02 3.9716326E-02 1.1935327E-02 12 2.6805361E+02 2.5499349E-01 -1.7469573E-01 8.5944956E-02 3.9185007E-02 1.1891455E-02 13 1.1596060E+02 5.2370980E-02 1.7959686E-01 -1.1220406E-01 -5.5199646E-02 -1.7015662E-02 14 5.7205556E+01 -4.7875403E-03 5.8874999E-01 -5.1719787E-01 -2.5248138E-01 -7.7260135E-02 15 2.8184796E+01 2.5566359E-03 3.7023425E-01 -3.7055188E-01 -2.1411900E-01 -6.8326282E-02 16 1.2044452E+01 -1.2721770E-03 4.1059328E-02 6.5277122E-01 5.2895718E-01 1.8010775E-01 17 5.9946461E+00 6.2081178E-04 -4.2085314E-03 6.6542921E-01 7.3789449E-01 2.6237637E-01 18 2.2181382E+00 -2.3433373E-04 1.1183671E-03 6.0518648E-02 -7.3783629E-01 -3.5780338E-01 19 9.9662893E-01 9.8688074E-05 -5.2949492E-04 -6.5492408E-03 -6.9439949E-01 -4.6877591E-01 20 2.0685277E-01 -2.3925435E-05 1.1429701E-04 1.4836971E-03 -2.5729400E-02 6.9957694E-01 21 7.8107587E-02 9.7464949E-06 -4.5998998E-05 -5.8781033E-04 6.2180108E-03 5.2580162E-01 2p 3p 4p 5p 1 1.7502468E+05 1.5105218E-04 -6.9725422E-05 2.9061974E-05 -6.7571278E-06 2 2.6282750E+04 7.2699719E-04 -3.3665030E-04 1.3996143E-04 -3.2605759E-05 3 6.1682918E+03 3.7249026E-03 -1.7361042E-03 7.2689856E-04 -1.6878399E-04 4 1.8857509E+03 1.7578225E-02 -8.2718350E-03 3.4430029E-03 -8.0334896E-04 5 6.8196431E+02 6.7858136E-02 -3.2724376E-02 1.3809378E-02 -3.2071707E-03 6 2.7553636E+02 1.9692667E-01 -9.9181663E-02 4.1753353E-02 -9.7711249E-03 7 1.1964108E+02 3.7868235E-01 -2.0434019E-01 8.8681577E-02 -2.0614166E-02 8 5.4439532E+01 3.8213764E-01 -1.9117111E-01 7.7751389E-02 -1.8400557E-02 9 2.4763778E+01 1.3191020E-01 2.0484262E-01 -1.1901623E-01 3.0011509E-02 10 1.1561276E+01 3.6690183E-03 6.0360703E-01 -4.0464562E-01 9.8566421E-02 11 5.4920101E+00 2.2372162E-03 3.1513274E-01 -8.3831985E-02 1.8489289E-02 12 2.3093276E+00 -9.6797467E-04 2.5694756E-02 6.6358535E-01 -2.1890942E-01 13 9.4472846E-01 2.7447552E-04 -4.1798001E-05 4.8312780E-01 -1.3685776E-01 14 2.2138009E-01 -7.9302015E-05 1.4346354E-04 2.9452887E-02 5.1054701E-01 15 6.8177545E-02 2.8301728E-05 -5.4724375E-05 -4.7317239E-03 6.2614992E-01 3d 4d 1 1.3546789E+03 1.0053821E-03 -3.7187289E-04 2 3.8807285E+02 8.9754484E-03 -3.3697866E-03 3 1.4626089E+02 4.5920534E-02 -1.7230994E-02 4 6.2496516E+01 1.5147291E-01 -5.8363978E-02 5 2.8656374E+01 3.1973922E-01 -1.2125417E-01 6 1.3526800E+01 4.0864941E-01 -1.4687995E-01 7 6.4870561E+00 2.5117989E-01 1.4667861E-02 8 2.9770882E+00 4.9066946E-02 3.5284401E-01 9 1.3074779E+00 5.8697188E-04 4.8579244E-01 10 5.3865535E-01 3.8861203E-04 2.8394191E-01 11 1.8443076E-01 -1.0516471E-04 4.1100940E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.5245447E+07 2.2108006E-06 -7.5824991E-07 3.3512161E-07 1.4565022E-07 4.3736975E-08 2 8.0691358E+06 1.9525905E-05 -6.6935953E-06 2.9531309E-06 1.2861508E-06 3.8643060E-07 3 1.8903023E+06 1.0343466E-04 -3.5497019E-05 1.5694063E-05 6.8188283E-06 2.0474372E-06 4 5.1516459E+05 4.5820472E-04 -1.5722952E-04 6.9350294E-05 3.0219089E-05 9.0807106E-06 5 1.5791787E+05 1.7600784E-03 -6.0569799E-04 2.6801971E-04 1.1639693E-04 3.4945045E-05 6 5.3129954E+04 6.0544363E-03 -2.0898736E-03 9.2212242E-04 4.0214084E-04 1.2086634E-04 7 1.9309089E+04 1.8789558E-02 -6.5619386E-03 2.9118067E-03 1.2641458E-03 3.7947805E-04 8 7.4864355E+03 5.2486591E-02 -1.8729809E-02 8.2987566E-03 3.6263326E-03 1.0904062E-03 9 3.0658105E+03 1.2810691E-01 -4.8277760E-02 2.1692284E-02 9.4272099E-03 2.8301089E-03 10 1.3148910E+03 2.5528031E-01 -1.0715567E-01 4.8590888E-02 2.1386019E-02 6.4401341E-03 11 5.8613304E+02 3.5610547E-01 -1.8760805E-01 8.9201444E-02 3.9035571E-02 1.1729302E-02 12 2.6805361E+02 2.6042435E-01 -1.7530006E-01 8.6186883E-02 3.9283829E-02 1.1920589E-02 13 1.1596060E+02 5.3740905E-02 1.7742847E-01 -1.1021030E-01 -5.4202893E-02 -1.6708362E-02 14 5.7205556E+01 -4.9241887E-03 5.8953746E-01 -5.1604452E-01 -2.5176227E-01 -7.7031962E-02 15 2.8184796E+01 2.6241874E-03 3.7134901E-01 -3.7109746E-01 -2.1440795E-01 -6.8414534E-02 16 1.2044452E+01 -1.3036379E-03 4.1308285E-02 6.5232392E-01 5.2822519E-01 1.7983618E-01 17 5.9946461E+00 6.3585886E-04 -4.2967858E-03 6.6600951E-01 7.3810561E-01 2.6244743E-01 18 2.2181382E+00 -2.3915398E-04 1.1674251E-03 6.0493260E-02 -7.3780054E-01 -3.5773419E-01 19 9.9662893E-01 1.0024450E-04 -5.5897883E-04 -6.5108610E-03 -6.9447994E-01 -4.6878960E-01 20 2.0685277E-01 -2.3913622E-05 1.2951062E-04 1.4612012E-03 -2.5735464E-02 6.9957199E-01 21 7.8107587E-02 9.5257619E-06 -5.6617223E-05 -5.7151175E-04 6.2208060E-03 5.2580887E-01 2p 3p 4p 5p 1 1.7502468E+05 2.1135664E-05 -9.7836424E-06 4.0964055E-06 -9.5025017E-07 2 2.6282750E+04 3.1733947E-04 -1.4701275E-04 6.0963739E-05 -1.4224706E-05 3 6.1682918E+03 2.7017306E-03 -1.2578299E-03 5.2715509E-04 -1.2231442E-04 4 1.8857509E+03 1.5506281E-02 -7.2809051E-03 3.0277840E-03 -7.0663421E-04 5 6.8196431E+02 6.4494142E-02 -3.1031917E-02 1.3092466E-02 -3.0400878E-03 6 2.7553636E+02 1.9295604E-01 -9.6992889E-02 4.0812969E-02 -9.5511732E-03 7 1.1964108E+02 3.7581784E-01 -2.0252961E-01 8.7880985E-02 -2.0426714E-02 8 5.4439532E+01 3.8099679E-01 -1.9068097E-01 7.7580090E-02 -1.8361396E-02 9 2.4763778E+01 1.3080008E-01 2.0455996E-01 -1.1872592E-01 2.9936024E-02 10 1.1561276E+01 2.5630080E-03 6.0371047E-01 -4.0449396E-01 9.8523832E-02 11 5.4920101E+00 1.1447373E-03 3.1539719E-01 -8.4039611E-02 1.8547213E-02 12 2.3093276E+00 -1.8224079E-03 2.5764185E-02 6.6346079E-01 -2.1886148E-01 13 9.4472846E-01 -7.0274959E-04 2.6511942E-05 4.8304608E-01 -1.3683999E-01 14 2.2138009E-01 -9.5563501E-04 2.0191351E-04 2.9346096E-02 5.1055959E-01 15 6.8177545E-02 -5.4051381E-04 -1.5439015E-05 -4.8016584E-03 6.2616256E-01 3d 4d 1 1.3546789E+03 8.7856061E-04 -3.2464876E-04 2 3.8807285E+02 8.6107427E-03 -3.2323759E-03 3 1.4626089E+02 4.5166327E-02 -1.6942162E-02 4 6.2496516E+01 1.5048788E-01 -5.7972997E-02 5 2.8656374E+01 3.1889197E-01 -1.2091801E-01 6 1.3526800E+01 4.0824402E-01 -1.4673790E-01 7 6.4870561E+00 2.5104031E-01 1.4620419E-02 8 2.9770882E+00 4.8960603E-02 3.5276476E-01 9 1.3074779E+00 5.1338606E-04 4.8576360E-01 10 5.3865535E-01 3.4813497E-04 2.8393187E-01 11 1.8443076E-01 -1.3223099E-04 4.1092662E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.5245447E+07 1.1928462E-04 -4.1528549E-05 1.8386394E-05 7.9979481E-06 2.4006802E-06 2 8.0691358E+06 3.4875248E-04 -1.2137824E-04 5.3566594E-05 2.3343625E-05 7.0169986E-06 3 1.8903023E+06 8.6295629E-04 -3.0149242E-04 1.3370054E-04 5.8128196E-05 1.7442570E-05 4 5.1516459E+05 2.0096382E-03 -7.0201913E-04 3.1001942E-04 1.3516602E-04 4.0646120E-05 5 1.5791787E+05 4.6479771E-03 -1.6332454E-03 7.2601008E-04 3.1551097E-04 9.4661250E-05 6 5.3129954E+04 1.0966054E-02 -3.8639206E-03 1.7099864E-03 7.4607224E-04 2.2438474E-04 7 1.9309089E+04 2.6498367E-02 -9.4721951E-03 4.2235317E-03 1.8359549E-03 5.5124369E-04 8 7.4864355E+03 6.3341809E-02 -2.3159972E-02 1.0300885E-02 4.5028750E-03 1.3542074E-03 9 3.0658105E+03 1.4073293E-01 -5.4480588E-02 2.4570115E-02 1.0679683E-02 3.2057300E-03 10 1.3148910E+03 2.6448835E-01 -1.1416421E-01 5.2004952E-02 2.2920793E-02 6.9045334E-03 11 5.8613304E+02 3.5545486E-01 -1.9296055E-01 9.2126700E-02 4.0333182E-02 1.2119885E-02 12 2.6805361E+02 2.5362255E-01 -1.7480767E-01 8.6122748E-02 3.9309793E-02 1.1933859E-02 13 1.1596060E+02 5.1189504E-02 1.8169666E-01 -1.1326891E-01 -5.5720673E-02 -1.7177699E-02 14 5.7205556E+01 -5.0386163E-03 5.9005412E-01 -5.1876913E-01 -2.5327416E-01 -7.7505440E-02 15 2.8184796E+01 2.5549169E-03 3.6974162E-01 -3.7013046E-01 -2.1399929E-01 -6.8293988E-02 16 1.2044452E+01 -1.2929390E-03 4.0923674E-02 6.5342277E-01 5.2951771E-01 1.8030086E-01 17 5.9946461E+00 6.2379364E-04 -4.2651901E-03 6.6537881E-01 7.3788445E-01 2.6237803E-01 18 2.2181382E+00 -2.3862939E-04 1.1359423E-03 6.0442665E-02 -7.3801637E-01 -3.5788465E-01 19 9.9662893E-01 9.8297246E-05 -5.3668701E-04 -6.5466406E-03 -6.9437094E-01 -4.6876657E-01 20 2.0685277E-01 -2.3980621E-05 1.1440181E-04 1.4853944E-03 -2.5722769E-02 6.9958859E-01 21 7.8107587E-02 9.6904388E-06 -4.6154052E-05 -5.8877225E-04 6.2177050E-03 5.2579916E-01 2p 3p 4p 5p 1 1.7502468E+05 1.6387981E-04 -7.5366509E-05 3.1535165E-05 -7.3139365E-06 2 2.6282750E+04 7.9022071E-04 -3.6488054E-04 1.5113986E-04 -3.5272608E-05 3 6.1682918E+03 3.9281881E-03 -1.8280519E-03 7.6650009E-04 -1.7781026E-04 4 1.8857509E+03 1.8125930E-02 -8.5219648E-03 3.5442657E-03 -8.2730304E-04 5 6.8196431E+02 6.9043875E-02 -3.3290442E-02 1.4051759E-02 -3.2628556E-03 6 2.7553636E+02 1.9869149E-01 -1.0009294E-01 4.2134211E-02 -9.8612227E-03 7 1.1964108E+02 3.8011139E-01 -2.0522867E-01 8.9087962E-02 -2.0707859E-02 8 5.4439532E+01 3.8234074E-01 -1.9132271E-01 7.7808727E-02 -1.8416494E-02 9 2.4763778E+01 1.3168265E-01 2.0534923E-01 -1.1926428E-01 3.0073949E-02 10 1.1561276E+01 3.6324124E-03 6.0386170E-01 -4.0487384E-01 9.8622204E-02 11 5.4920101E+00 2.2326401E-03 3.1506229E-01 -8.3732285E-02 1.8465584E-02 12 2.3093276E+00 -9.6749622E-04 2.5678736E-02 6.6366051E-01 -2.1893710E-01 13 9.4472846E-01 2.7416182E-04 -4.4107761E-05 4.8311934E-01 -1.3685378E-01 14 2.2138009E-01 -7.9289797E-05 1.4397775E-04 2.9450170E-02 5.1055279E-01 15 6.8177545E-02 2.8284134E-05 -5.4885755E-05 -4.7317024E-03 6.2614984E-01 3d 4d 1 1.3546789E+03 1.0321337E-03 -3.8144550E-04 2 3.8807285E+02 9.0818465E-03 -3.4099649E-03 3 1.4626089E+02 4.6192781E-02 -1.7332304E-02 4 6.2496516E+01 1.5190749E-01 -5.8535386E-02 5 2.8656374E+01 3.2014126E-01 -1.2140912E-01 6 1.3526800E+01 4.0882760E-01 -1.4695257E-01 7 6.4870561E+00 2.5117404E-01 1.4711929E-02 8 2.9770882E+00 4.9053337E-02 3.5290354E-01 9 1.3074779E+00 5.8569918E-04 4.8580990E-01 10 5.3865535E-01 3.8866585E-04 2.8394140E-01 11 1.8443076E-01 -1.0519566E-04 4.1100166E-02 ** Sb 121 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.6313407E+07 4.6128828E-05 -1.5912260E-05 7.0619182E-06 3.1108193E-06 9.8981682E-07 2 8.3684599E+06 1.5028749E-04 -5.1993540E-05 2.3073302E-05 1.0170569E-05 3.2365480E-06 3 1.9773515E+06 4.3120768E-04 -1.4986926E-04 6.6601211E-05 2.9336182E-05 9.3341767E-06 4 5.4177878E+05 1.1815387E-03 -4.1298147E-04 1.8347063E-04 8.0931493E-05 2.5758243E-05 5 1.6663589E+05 3.2104930E-03 -1.1309441E-03 5.0381487E-04 2.2187197E-04 7.0591780E-05 6 5.6173447E+04 8.6659180E-03 -3.0776371E-03 1.3694551E-03 6.0484037E-04 1.9255112E-04 7 2.0436646E+04 2.2907489E-02 -8.2519189E-03 3.6910305E-03 1.6250164E-03 5.1698816E-04 8 7.9271009E+03 5.7751651E-02 -2.1287004E-02 9.5146479E-03 4.2118430E-03 1.3414355E-03 9 3.2464272E+03 1.3248700E-01 -5.1494459E-02 2.3325431E-02 1.0278663E-02 3.2705783E-03 10 1.3920592E+03 2.5515247E-01 -1.1014699E-01 5.0343653E-02 2.2445008E-02 7.1583519E-03 11 6.2027701E+02 3.5132612E-01 -1.8906311E-01 9.0496136E-02 4.0153043E-02 1.2791935E-02 12 2.8357521E+02 2.5821516E-01 -1.7676772E-01 8.7290182E-02 4.0246347E-02 1.2920363E-02 13 1.2326954E+02 5.4785289E-02 1.6909864E-01 -1.0607836E-01 -5.2883719E-02 -1.7235443E-02 14 6.0823636E+01 -4.6567405E-03 5.8542749E-01 -5.1329989E-01 -2.5417410E-01 -8.2609253E-02 15 2.9959224E+01 2.5646734E-03 3.8055268E-01 -3.8580177E-01 -2.2488230E-01 -7.5842048E-02 16 1.2796504E+01 -1.2924428E-03 4.3768040E-02 6.4227110E-01 5.2835992E-01 1.9086177E-01 17 6.3970526E+00 6.4496327E-04 -4.7243838E-03 6.7547496E-01 7.6113673E-01 2.8978011E-01 18 2.4035715E+00 -2.5205336E-04 1.3024677E-03 6.4628210E-02 -7.2316657E-01 -3.7798937E-01 19 1.0998884E+00 1.0881107E-04 -6.1760623E-04 -7.0658930E-03 -7.1607952E-01 -5.1764949E-01 20 2.4470456E-01 -2.7051687E-05 1.3862610E-04 1.5878459E-03 -2.8260625E-02 7.2630127E-01 21 9.3676885E-02 1.0716262E-05 -5.3847791E-05 -6.1905717E-04 6.2974789E-03 5.2431365E-01 2p 3p 4p 5p 1 2.0013795E+05 1.4587949E-04 -6.7718819E-05 2.8705592E-05 -7.3907437E-06 2 2.9858385E+04 6.8499119E-04 -3.1909619E-04 1.3492830E-04 -3.4810076E-05 3 6.9338548E+03 3.4466656E-03 -1.6147858E-03 6.8764630E-04 -1.7678953E-04 4 2.0993388E+03 1.6236821E-02 -7.6852849E-03 3.2529944E-03 -8.4069126E-04 5 7.5383727E+02 6.3265890E-02 -3.0621887E-02 1.3141483E-02 -3.3791037E-03 6 3.0306587E+02 1.8686028E-01 -9.4468662E-02 4.0431641E-02 -1.0481375E-02 7 1.3118936E+02 3.6974383E-01 -1.9966914E-01 8.8091727E-02 -2.2673374E-02 8 5.9618016E+01 3.9071853E-01 -2.0237070E-01 8.4614848E-02 -2.2199627E-02 9 2.7294613E+01 1.4592938E-01 1.7271604E-01 -1.0372657E-01 2.9303909E-02 10 1.2742908E+01 6.3314331E-03 5.9826390E-01 -4.0708721E-01 1.1006583E-01 11 6.0765408E+00 2.0479566E-03 3.4315666E-01 -1.1946991E-01 3.1246365E-02 12 2.5481636E+00 -9.1335082E-04 3.1761375E-02 6.5556063E-01 -2.4504448E-01 13 1.0605691E+00 2.6409644E-04 -6.1987221E-04 5.0099676E-01 -1.5930363E-01 14 2.6280194E-01 -8.0069372E-05 2.7591753E-04 3.2202748E-02 5.4648760E-01 15 8.2880897E-02 2.8522173E-05 -1.0556148E-04 -4.7014512E-03 5.9827725E-01 3d 4d 1 1.4999394E+03 9.1299366E-04 -3.5079106E-04 2 4.2818574E+02 8.1836117E-03 -3.1912981E-03 3 1.6121862E+02 4.2431555E-02 -1.6536461E-02 4 6.8931191E+01 1.4249051E-01 -5.7014605E-02 5 3.1680846E+01 3.0878193E-01 -1.2202300E-01 6 1.5011637E+01 4.0843814E-01 -1.5396895E-01 7 7.2404674E+00 2.6566109E-01 -1.4314877E-03 8 3.3593207E+00 5.6941767E-02 3.4384630E-01 9 1.4998951E+00 9.5446536E-04 4.9340655E-01 10 6.3167229E-01 4.3778903E-04 2.8520822E-01 11 2.2123480E-01 -1.2544348E-04 4.0044406E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.6313407E+07 2.2505583E-06 -7.7484698E-07 3.4400035E-07 1.5141526E-07 4.8170485E-08 2 8.3684599E+06 1.9727873E-05 -6.7894027E-06 3.0089035E-06 1.3270133E-06 4.2233758E-07 3 1.9773515E+06 1.0354698E-04 -3.5671672E-05 1.5842260E-05 6.9711526E-06 2.2176393E-06 4 5.4177878E+05 4.5582465E-04 -1.5703301E-04 6.9576486E-05 3.0700166E-05 9.7716431E-06 5 1.6663589E+05 1.7430286E-03 -6.0211461E-04 2.6763207E-04 1.1771761E-04 3.7444665E-05 6 5.6173447E+04 5.9777045E-03 -2.0715477E-03 9.1817263E-04 4.0545498E-04 1.2907347E-04 7 2.0436646E+04 1.8516514E-02 -6.4898427E-03 2.8927040E-03 1.2720058E-03 4.0458598E-04 8 7.9271009E+03 5.1681351E-02 -1.8506811E-02 8.2368081E-03 3.6443286E-03 1.1605807E-03 9 3.2464272E+03 1.2623921E-01 -4.7680311E-02 2.1516935E-02 9.4720855E-03 3.0133494E-03 10 1.3920592E+03 2.5239726E-01 -1.0602224E-01 4.8280883E-02 2.1512896E-02 6.8603382E-03 11 6.2027701E+02 3.5505446E-01 -1.8631299E-01 8.8912502E-02 3.9423189E-02 1.2557804E-02 12 2.8357521E+02 2.6391895E-01 -1.7734416E-01 8.7509043E-02 4.0335142E-02 1.2948040E-02 13 1.2326954E+02 5.6279842E-02 1.6682455E-01 -1.0400680E-01 -5.1835849E-02 -1.6893139E-02 14 6.0823636E+01 -4.7957974E-03 5.8617759E-01 -5.1203268E-01 -2.5337810E-01 -8.2341006E-02 15 2.9959224E+01 2.6355706E-03 3.8175724E-01 -3.8636802E-01 -2.2518126E-01 -7.5938860E-02 16 1.2796504E+01 -1.3259928E-03 4.4034507E-02 6.4177537E-01 5.2755874E-01 1.9054583E-01 17 6.3970526E+00 6.6142354E-04 -4.8157118E-03 6.7609837E-01 7.6136439E-01 2.8986005E-01 18 2.4035715E+00 -2.5757668E-04 1.3536323E-03 6.4601143E-02 -7.2312163E-01 -3.7790473E-01 19 1.0998884E+00 1.1068635E-04 -6.4863791E-04 -7.0227709E-03 -7.1616945E-01 -5.1766564E-01 20 2.4470456E-01 -2.7102978E-05 1.5452878E-04 1.5625864E-03 -2.8268637E-02 7.2629542E-01 21 9.3676885E-02 1.0507801E-05 -6.4611013E-05 -6.0125386E-04 6.3011647E-03 5.2432271E-01 2p 3p 4p 5p 1 2.0013795E+05 1.8767730E-05 -8.7331207E-06 3.7195201E-06 -9.5520953E-07 2 2.9858385E+04 2.8159065E-04 -1.3130109E-04 5.5367474E-05 -1.4310234E-05 3 6.9338548E+03 2.4283921E-03 -1.1363836E-03 4.8446100E-04 -1.2444481E-04 4 2.0993388E+03 1.4151391E-02 -6.6837196E-03 2.8262633E-03 -7.3061849E-04 5 7.5383727E+02 5.9828422E-02 -2.8889018E-02 1.2395261E-02 -3.1865102E-03 6 3.0306587E+02 1.8270788E-01 -9.2180094E-02 3.9432269E-02 -1.0222474E-02 7 1.3118936E+02 3.6663733E-01 -1.9770972E-01 8.7210828E-02 -2.2444877E-02 8 5.9618016E+01 3.8946912E-01 -2.0177299E-01 8.4388949E-02 -2.2141958E-02 9 2.7294613E+01 1.4480475E-01 1.7241824E-01 -1.0342107E-01 2.9215498E-02 10 1.2742908E+01 5.1636610E-03 5.9833710E-01 -4.0689515E-01 1.1000626E-01 11 6.0765408E+00 8.9972464E-04 3.4344852E-01 -1.1968951E-01 3.1314270E-02 12 2.5481636E+00 -1.8239937E-03 3.1838240E-02 6.5541772E-01 -2.4498246E-01 13 1.0605691E+00 -7.4058774E-04 -5.5077063E-04 5.0091462E-01 -1.5928411E-01 14 2.6280194E-01 -9.7934875E-04 3.3476579E-04 3.2090490E-02 5.4650153E-01 15 8.2880897E-02 -6.0176778E-04 -6.2662505E-05 -4.7810491E-03 5.9829292E-01 3d 4d 1 1.4999394E+03 7.8820106E-04 -3.0252759E-04 2 4.2818574E+02 7.8190985E-03 -3.0486654E-03 3 1.6121862E+02 4.1664138E-02 -1.6231355E-02 4 6.8931191E+01 1.4146083E-01 -5.6590181E-02 5 3.1680846E+01 3.0786850E-01 -1.2164517E-01 6 1.5011637E+01 4.0798217E-01 -1.5379911E-01 7 7.2404674E+00 2.6550785E-01 -1.4777673E-03 8 3.3593207E+00 5.6828549E-02 3.4375538E-01 9 1.4998951E+00 8.7360275E-04 4.9337350E-01 10 6.3167229E-01 3.9273441E-04 2.8519749E-01 11 2.2123480E-01 -1.5667095E-04 4.0034374E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.6313407E+07 1.2566395E-04 -4.3926428E-05 1.9534677E-05 8.6067476E-06 2.7371798E-06 2 8.3684599E+06 3.6453377E-04 -1.2739962E-04 5.6486932E-05 2.4924301E-05 7.9352926E-06 3 1.9773515E+06 8.9538551E-04 -3.1409925E-04 1.3990219E-04 6.1613368E-05 1.9590373E-05 4 5.4177878E+05 2.0692633E-03 -7.2602563E-04 3.2212064E-04 1.4218964E-04 4.5284320E-05 5 1.6663589E+05 4.7436780E-03 -1.6742806E-03 7.4752876E-04 3.2909652E-04 1.0462882E-04 6 5.6173447E+04 1.1079547E-02 -3.9227757E-03 1.7442148E-03 7.7048198E-04 2.4540496E-04 7 2.0436646E+04 2.6516449E-02 -9.5222048E-03 4.2651903E-03 1.8781815E-03 5.9759516E-04 8 7.9271009E+03 6.2936783E-02 -2.3115902E-02 1.0329651E-02 4.5718424E-03 1.4561070E-03 9 3.2464272E+03 1.3935647E-01 -5.4126210E-02 2.4520746E-02 1.0797279E-02 3.4347434E-03 10 1.3920592E+03 2.6208376E-01 -1.1333371E-01 5.1855794E-02 2.3138632E-02 7.3810156E-03 11 6.2027701E+02 3.5458673E-01 -1.9194084E-01 9.1992707E-02 4.0809157E-02 1.3000435E-02 12 2.8357521E+02 2.5685541E-01 -1.7695454E-01 8.7512938E-02 4.0393542E-02 1.2972450E-02 13 1.2326954E+02 5.3518809E-02 1.7126530E-01 -1.0717283E-01 -5.3423606E-02 -1.7412830E-02 14 6.0823636E+01 -4.9225139E-03 5.8684355E-01 -5.1497373E-01 -2.5503277E-01 -8.2892116E-02 15 2.9959224E+01 2.5592955E-03 3.8004955E-01 -3.8539128E-01 -2.2477015E-01 -7.5809867E-02 16 1.2796504E+01 -1.3134712E-03 4.3617121E-02 6.4297495E-01 5.2896552E-01 1.9108253E-01 17 6.3970526E+00 6.4753412E-04 -4.7852531E-03 6.7542592E-01 7.6113541E-01 2.8978700E-01 18 2.4035715E+00 -2.5651271E-04 1.3219838E-03 6.4544708E-02 -7.2336664E-01 -3.7808644E-01 19 1.0998884E+00 1.0827646E-04 -6.2566038E-04 -7.0633431E-03 -7.1604925E-01 -5.1763907E-01 20 2.4470456E-01 -2.7092878E-05 1.3873714E-04 1.5899412E-03 -2.8252242E-02 7.2631613E-01 21 9.3676885E-02 1.0645460E-05 -5.4012694E-05 -6.2024717E-04 6.2968911E-03 5.2431046E-01 2p 3p 4p 5p 1 2.0013795E+05 1.5788839E-04 -7.2982835E-05 3.1055045E-05 -7.9737709E-06 2 2.9858385E+04 7.4674934E-04 -3.4695610E-04 1.4615975E-04 -3.7783924E-05 3 6.9338548E+03 3.6479979E-03 -1.7061537E-03 7.2765267E-04 -1.8686739E-04 4 2.0993388E+03 1.6780338E-02 -7.9355119E-03 3.3560256E-03 -8.6772207E-04 5 7.5383727E+02 6.4457938E-02 -3.1191606E-02 1.3389597E-02 -3.4421550E-03 6 3.0306587E+02 1.8868367E-01 -9.5412472E-02 4.0832487E-02 -1.0586482E-02 7 1.3118936E+02 3.7129522E-01 -2.0062068E-01 8.8532795E-02 -2.2785874E-02 8 5.9618016E+01 3.9100165E-01 -2.0259496E-01 8.4707171E-02 -2.2226927E-02 9 2.7294613E+01 1.4568235E-01 1.7324012E-01 -1.0398431E-01 2.9376147E-02 10 1.2742908E+01 6.2874355E-03 5.9856354E-01 -4.0735144E-01 1.1013751E-01 11 6.0765408E+00 2.0413328E-03 3.4308707E-01 -1.1937042E-01 3.1220710E-02 12 2.5481636E+00 -9.1231834E-04 3.1740640E-02 6.5564883E-01 -2.4508090E-01 13 1.0605691E+00 2.6356680E-04 -6.2237038E-04 5.0098776E-01 -1.5929851E-01 14 2.6280194E-01 -8.0024413E-05 2.7653618E-04 3.2199258E-02 5.4649515E-01 15 8.2880897E-02 2.8490278E-05 -1.0575972E-04 -4.7013771E-03 5.9827692E-01 3d 4d 1 1.4999394E+03 9.3916580E-04 -3.6053086E-04 2 4.2818574E+02 8.2881788E-03 -3.2322719E-03 3 1.6121862E+02 4.2705418E-02 -1.6642301E-02 4 6.8931191E+01 1.4293977E-01 -5.7198393E-02 5 3.1680846E+01 3.0921601E-01 -1.2219759E-01 6 1.5011637E+01 4.0864347E-01 -1.5405609E-01 7 7.2404674E+00 2.6566076E-01 -1.3879241E-03 8 3.3593207E+00 5.6925332E-02 3.4391509E-01 9 1.4998951E+00 9.5287045E-04 4.9342776E-01 10 6.3167229E-01 4.3780366E-04 2.8520733E-01 11 2.2123480E-01 -1.2546806E-04 4.0043455E-02 ** Te 130 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.6087644E+07 4.9305366E-05 -1.7074665E-05 7.6106324E-06 3.3932286E-06 1.1299449E-06 2 8.4818553E+06 1.5886850E-04 -5.5181304E-05 2.4594432E-05 1.0972460E-05 3.6541395E-06 3 2.0293532E+06 4.5077573E-04 -1.5729878E-04 7.0206701E-05 3.1300415E-05 1.0423138E-05 4 5.6064998E+05 1.2209510E-03 -4.2854048E-04 1.9121931E-04 8.5370572E-05 2.8433951E-05 5 1.7342363E+05 3.2809866E-03 -1.1607397E-03 5.1935586E-04 2.3150882E-04 7.7093813E-05 6 5.8686586E+04 8.7680583E-03 -3.1282792E-03 1.3982243E-03 6.2500970E-04 2.0820775E-04 7 2.1406436E+04 2.2988746E-02 -8.3195956E-03 3.7378271E-03 1.6658222E-03 5.5474001E-04 8 8.3176518E+03 5.7603549E-02 -2.1333412E-02 9.5786790E-03 4.2913140E-03 1.4300678E-03 9 3.4102686E+03 1.3165482E-01 -5.1376431E-02 2.3374550E-02 1.0427631E-02 3.4735281E-03 10 1.4633990E+03 2.5332074E-01 -1.0967694E-01 5.0350755E-02 2.2717422E-02 7.5798666E-03 11 6.5236309E+02 3.5004392E-01 -1.8822617E-01 9.0451541E-02 4.0637725E-02 1.3558527E-02 12 2.9838404E+02 2.5991159E-01 -1.7767540E-01 8.8070694E-02 4.1064483E-02 1.3778106E-02 13 1.3028957E+02 5.6487421E-02 1.6221479E-01 -1.0236236E-01 -5.1689922E-02 -1.7588768E-02 14 6.4305136E+01 -4.5060542E-03 5.8257241E-01 -5.1094766E-01 -2.5651068E-01 -8.7476862E-02 15 3.1682965E+01 2.5566927E-03 3.8759755E-01 -3.9682957E-01 -2.3374362E-01 -8.2342539E-02 16 1.3553528E+01 -1.3053816E-03 4.5845487E-02 6.3432597E-01 5.3019502E-01 2.0067683E-01 17 6.8043079E+00 6.6366485E-04 -5.1136961E-03 6.8305512E-01 7.8150321E-01 3.1460040E-01 18 2.5933017E+00 -2.6725183E-04 1.4505739E-03 6.8300301E-02 -7.1211276E-01 -3.9628638E-01 19 1.2066062E+00 1.1779176E-04 -6.9212657E-04 -7.5196121E-03 -7.3427221E-01 -5.6048332E-01 20 2.8405604E-01 -2.9767753E-05 1.5960096E-04 1.6629246E-03 -3.0583039E-02 7.4773396E-01 21 1.0983096E-01 1.1478445E-05 -5.9880275E-05 -6.4038528E-04 6.2966601E-03 5.2590462E-01 2p 3p 4p 5p 1 2.2646808E+05 1.4211574E-04 -6.6333068E-05 2.8569339E-05 -7.9361952E-06 2 3.3599149E+04 6.5296935E-04 -3.0591623E-04 1.3144425E-04 -3.6587525E-05 3 7.7280346E+03 3.2284038E-03 -1.5202727E-03 6.5780175E-04 -1.8245530E-04 4 2.3184021E+03 1.5166637E-02 -7.2193316E-03 3.1048195E-03 -8.6582337E-04 5 8.2682456E+02 5.9547112E-02 -2.8933701E-02 1.2615637E-02 -3.4996322E-03 6 3.3080065E+02 1.7851637E-01 -9.0602885E-02 3.9391991E-02 -1.1020083E-02 7 1.4275681E+02 3.6179399E-01 -1.9564746E-01 8.7668022E-02 -2.4347034E-02 8 6.4783917E+01 3.9712889E-01 -2.1087239E-01 9.0265325E-02 -2.5563979E-02 9 2.9797068E+01 1.5824346E-01 1.4678266E-01 -9.1447984E-02 2.8197351E-02 10 1.3896958E+01 8.9729104E-03 5.9280566E-01 -4.0957820E-01 1.1981513E-01 11 6.6413464E+00 1.8388885E-03 3.6535056E-01 -1.4750607E-01 4.2825137E-02 12 2.7844937E+00 -8.5265160E-04 3.7007153E-02 6.4909566E-01 -2.6717662E-01 13 1.1784760E+00 2.4985127E-04 -1.1419239E-03 5.1411229E-01 -1.7858117E-01 14 3.0649495E-01 -7.8735046E-05 3.9655541E-04 3.4619135E-02 5.7163552E-01 15 9.8174682E-02 2.7962810E-05 -1.5193482E-04 -4.5420161E-03 5.8095990E-01 3d 4d 1 1.6487262E+03 8.4002576E-04 -3.3377956E-04 2 4.6903538E+02 7.5513493E-03 -3.0445899E-03 3 1.7638988E+02 3.9604444E-02 -1.5959939E-02 4 7.5444301E+01 1.3506630E-01 -5.5866389E-02 5 3.4735600E+01 2.9936376E-01 -1.2265977E-01 6 1.6511062E+01 4.0757899E-01 -1.6003383E-01 7 8.0014175E+00 2.7759109E-01 -1.5142266E-02 8 3.7477043E+00 6.4111903E-02 3.3594393E-01 9 1.6967141E+00 1.4077627E-03 5.0001050E-01 10 7.2735098E-01 4.6320135E-04 2.8621836E-01 11 2.5935413E-01 -1.4037609E-04 3.9311595E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.6087644E+07 2.3518696E-06 -8.1284803E-07 3.6243335E-07 1.6146762E-07 5.3763318E-08 2 8.4818553E+06 2.0403810E-05 -7.0495551E-06 3.1377366E-06 1.4005663E-06 4.6645248E-07 3 2.0293532E+06 1.0570982E-04 -3.6557229E-05 1.6305684E-05 7.2624370E-06 2.4180725E-06 4 5.6064998E+05 4.6105322E-04 -1.5946351E-04 7.0960507E-05 3.1688824E-05 1.0554460E-05 5 1.7342363E+05 1.7505591E-03 -6.0705426E-04 2.7099245E-04 1.2065022E-04 4.0169469E-05 6 5.8686586E+04 5.9726450E-03 -2.0780674E-03 9.2508391E-04 4.1342781E-04 1.3771338E-04 7 2.1406436E+04 1.8430434E-02 -6.4841114E-03 2.9026055E-03 1.2919874E-03 4.3015723E-04 8 8.3176518E+03 5.1303817E-02 -1.8440682E-02 8.2432837E-03 3.6910092E-03 1.2298599E-03 9 3.4102686E+03 1.2515405E-01 -4.7408535E-02 2.1485131E-02 9.5745879E-03 3.1887679E-03 10 1.4633990E+03 2.5040234E-01 -1.0537724E-01 4.8191696E-02 2.1729834E-02 7.2494051E-03 11 6.5236309E+02 3.5385079E-01 -1.8534248E-01 8.8786602E-02 3.9860763E-02 1.3297528E-02 12 2.9838404E+02 2.6587358E-01 -1.7824183E-01 8.8278173E-02 4.1148457E-02 1.3805491E-02 13 1.3028957E+02 5.8093890E-02 1.5983791E-01 -1.0020511E-01 -5.0585468E-02 -1.7211074E-02 14 6.4305136E+01 -4.6466806E-03 5.8330022E-01 -5.0957605E-01 -2.5564081E-01 -8.7169269E-02 15 3.1682965E+01 2.6305458E-03 3.8888481E-01 -3.9741966E-01 -2.3405544E-01 -8.2448402E-02 16 1.3553528E+01 -1.3408709E-03 4.6129255E-02 6.3378432E-01 5.2932301E-01 2.0031568E-01 17 6.8043079E+00 6.8144661E-04 -5.2084412E-03 6.8372156E-01 7.8174858E-01 3.1468929E-01 18 2.5933017E+00 -2.7345404E-04 1.5041020E-03 6.8271659E-02 -7.1205800E-01 -3.9618499E-01 19 1.2066062E+00 1.1998041E-04 -7.2483672E-04 -7.4717427E-03 -7.3437235E-01 -5.6050235E-01 20 2.8405604E-01 -2.9882096E-05 1.7619087E-04 1.6350371E-03 -3.0593008E-02 7.4772722E-01 21 1.0983096E-01 1.1282025E-05 -7.0794386E-05 -6.2122745E-04 6.3011712E-03 5.2591556E-01 2p 3p 4p 5p 1 2.2646808E+05 1.6933634E-05 -7.9201161E-06 3.4278411E-06 -9.4964164E-07 2 3.3599149E+04 2.5349234E-04 -1.1893262E-04 5.0954669E-05 -1.4211576E-05 3 7.7280346E+03 2.2103436E-03 -1.0395853E-03 4.5037617E-04 -1.2480133E-04 4 2.3184021E+03 1.3060157E-02 -6.2033564E-03 2.6650618E-03 -7.4343477E-04 5 8.2682456E+02 5.6029241E-02 -2.7156025E-02 1.1838078E-02 -3.2831023E-03 6 3.3080065E+02 1.7418231E-01 -8.8212877E-02 3.8332043E-02 -1.0723767E-02 7 1.4275681E+02 3.5845197E-01 -1.9354222E-01 8.6706656E-02 -2.4077871E-02 8 6.4783917E+01 3.9576628E-01 -2.1016972E-01 8.9985067E-02 -2.5486398E-02 9 2.9797068E+01 1.5709923E-01 1.4647233E-01 -9.1127189E-02 2.8096698E-02 10 1.3896958E+01 7.7423768E-03 5.9285077E-01 -4.0934657E-01 1.1973761E-01 11 6.6413464E+00 6.3550893E-04 3.6566809E-01 -1.4773817E-01 4.2902702E-02 12 2.7844937E+00 -1.8156751E-03 3.7090990E-02 6.4893483E-01 -2.6709997E-01 13 1.1784760E+00 -7.8269629E-04 -1.0720144E-03 5.1402978E-01 -1.7856039E-01 14 3.0649495E-01 -1.0026096E-03 4.5585145E-04 3.4501192E-02 5.7165065E-01 15 9.8174682E-02 -6.6493902E-04 -1.0547114E-04 -4.6317961E-03 5.8097862E-01 3d 4d 1 1.6487262E+03 7.1645318E-04 -2.8436545E-04 2 4.6903538E+02 7.1853366E-03 -2.8965189E-03 3 1.7638988E+02 3.8821849E-02 -1.5638335E-02 4 7.5444301E+01 1.3399147E-01 -5.5408401E-02 5 3.4735600E+01 2.9838456E-01 -1.2223963E-01 6 1.6511062E+01 4.0707243E-01 -1.5983541E-01 7 8.0014175E+00 2.7742340E-01 -1.5187083E-02 8 3.7477043E+00 6.3992002E-02 3.3584096E-01 9 1.6967141E+00 1.3195431E-03 4.9997307E-01 10 7.2735098E-01 4.1353847E-04 2.8620701E-01 11 2.5935413E-01 -1.7586855E-04 3.9299683E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.6087644E+07 1.3410359E-04 -4.7067149E-05 2.1021147E-05 9.3752571E-06 3.1209084E-06 2 8.4818553E+06 3.8531542E-04 -1.3522568E-04 6.0226346E-05 2.6892539E-05 8.9583667E-06 3 2.0293532E+06 9.3820872E-04 -3.3047533E-04 1.4781902E-04 6.5903319E-05 2.1935766E-05 4 5.6064998E+05 2.1499317E-03 -7.5764871E-04 3.3766473E-04 1.5083032E-04 5.0256377E-05 5 1.7342363E+05 4.8836017E-03 -1.7313942E-03 7.7630951E-04 3.4599892E-04 1.1516175E-04 6 5.8686586E+04 1.1290762E-02 -4.0170531E-03 1.7942618E-03 8.0206449E-04 2.6726165E-04 7 2.1406436E+04 2.6752372E-02 -9.6529421E-03 4.3427522E-03 1.9359894E-03 6.4489272E-04 8 8.3176518E+03 6.2986076E-02 -2.3245627E-02 1.0435271E-02 4.6740052E-03 1.5574221E-03 9 3.4102686E+03 1.3876127E-01 -5.4111850E-02 2.4622671E-02 1.0976659E-02 3.6557819E-03 10 1.4633990E+03 2.6051539E-01 -1.1299049E-01 5.1929461E-02 2.3449053E-02 7.8251794E-03 11 6.5236309E+02 3.5350170E-01 -1.9122396E-01 9.2013742E-02 4.1332441E-02 1.3790139E-02 12 2.9838404E+02 2.5855344E-01 -1.7791885E-01 8.8329794E-02 4.1230945E-02 1.3839008E-02 13 1.3028957E+02 5.5144320E-02 1.6445564E-01 -1.0349499E-01 -5.2253487E-02 -1.7781943E-02 14 6.4305136E+01 -4.7860784E-03 5.8408850E-01 -5.1271876E-01 -2.5743372E-01 -8.7796627E-02 15 3.1682965E+01 2.5479127E-03 3.8708260E-01 -3.9642488E-01 -2.3363725E-01 -8.2310320E-02 16 1.3553528E+01 -1.3267814E-03 4.5680359E-02 6.3508125E-01 5.3084788E-01 2.0092567E-01 17 6.8043079E+00 6.6585810E-04 -5.1786709E-03 6.8300702E-01 7.8150975E-01 3.1461286E-01 18 2.5933017E+00 -2.7186080E-04 1.4718870E-03 6.8209371E-02 -7.1233351E-01 -3.9640015E-01 19 1.2066062E+00 1.1711414E-04 -7.0099607E-04 -7.5172458E-03 -7.3424025E-01 -5.6047177E-01 20 2.8405604E-01 -2.9796363E-05 1.5970041E-04 1.6654636E-03 -3.0572741E-02 7.4775227E-01 21 1.0983096E-01 1.1393680E-05 -6.0046283E-05 -6.4182241E-04 6.2957571E-03 5.2590067E-01 2p 3p 4p 5p 1 2.2646808E+05 1.5343777E-04 -7.1281745E-05 3.0814723E-05 -8.5351823E-06 2 3.3599149E+04 7.1362986E-04 -3.3353124E-04 1.4277048E-04 -3.9827265E-05 3 7.7280346E+03 3.4291503E-03 -1.6117239E-03 6.9845862E-04 -1.9349308E-04 4 2.3184021E+03 1.5709457E-02 -7.4711537E-03 3.2102201E-03 -8.9568384E-04 5 8.2682456E+02 6.0749924E-02 -2.9509650E-02 1.2870459E-02 -3.5694566E-03 6 3.3080065E+02 1.8039891E-01 -9.1579952E-02 3.9813448E-02 -1.1139371E-02 7 1.4275681E+02 3.6346222E-01 -1.9666076E-01 8.8143783E-02 -2.4477916E-02 8 6.4783917E+01 3.9749031E-01 -2.1116535E-01 9.0391892E-02 -2.5603566E-02 9 2.9797068E+01 1.5797991E-01 1.4732291E-01 -9.1715674E-02 2.8278609E-02 10 1.3896958E+01 8.9210321E-03 5.9314818E-01 -4.0987767E-01 1.1990311E-01 11 6.6413464E+00 1.8302943E-03 3.6528221E-01 -1.4740653E-01 4.2797918E-02 12 2.7844937E+00 -8.5108757E-04 3.6981875E-02 6.4919673E-01 -2.6722217E-01 13 1.1784760E+00 2.4909712E-04 -1.1446337E-03 5.1410270E-01 -1.7857482E-01 14 3.0649495E-01 -7.8654870E-05 3.9728929E-04 3.4614809E-02 5.7164494E-01 15 9.8174682E-02 2.7916576E-05 -1.5217430E-04 -4.5418810E-03 5.8095933E-01 3d 4d 1 1.6487262E+03 8.6584310E-04 -3.4372940E-04 2 4.6903538E+02 7.6548171E-03 -3.0864646E-03 3 1.7638988E+02 3.9880873E-02 -1.6070413E-02 4 7.5444301E+01 1.3553058E-01 -5.6062501E-02 5 3.4735600E+01 2.9982928E-01 -1.2285417E-01 6 1.6511062E+01 4.0781129E-01 -1.6013587E-01 7 8.0014175E+00 2.7759677E-01 -1.5099526E-02 8 3.7477043E+00 6.4092669E-02 3.3602218E-01 9 1.6967141E+00 1.4057895E-03 5.0003569E-01 10 7.2735098E-01 4.6317374E-04 2.8621703E-01 11 2.5935413E-01 -1.4039409E-04 3.9310460E-02 ** I 127 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.7671657E+07 5.1604263E-05 -1.7940170E-05 8.0296675E-06 3.6213455E-06 1.2516021E-06 2 8.8578021E+06 1.6490177E-04 -5.7501525E-05 2.5735434E-05 1.1613649E-05 4.0140552E-06 3 2.1327172E+06 4.6376117E-04 -1.6246354E-04 7.2813824E-05 3.2837849E-05 1.1349740E-05 4 5.9144479E+05 1.2440013E-03 -4.3840920E-04 1.9644598E-04 8.8712113E-05 3.0664283E-05 5 1.8335535E+05 3.3112620E-03 -1.1763233E-03 5.2853942E-04 2.3833587E-04 8.2380879E-05 6 6.2114698E+04 8.7740694E-03 -3.1444633E-03 1.4114812E-03 6.3817583E-04 2.2062169E-04 7 2.2664534E+04 2.2853095E-02 -8.3070524E-03 3.7480519E-03 1.6898595E-03 5.8415931E-04 8 8.8051994E+03 5.7013500E-02 -2.1208620E-02 9.5636744E-03 4.3336271E-03 1.4985860E-03 9 3.6085810E+03 1.3008741E-01 -5.0934429E-02 2.3269709E-02 1.0502596E-02 3.6320823E-03 10 1.5475521E+03 2.5072573E-01 -1.0875066E-01 5.0127607E-02 2.2873479E-02 7.9184568E-03 11 6.8937847E+02 3.4892720E-01 -1.8711365E-01 9.0229461E-02 4.1019605E-02 1.4213469E-02 12 3.1514031E+02 2.6298140E-01 -1.7950494E-01 8.9272263E-02 4.2062923E-02 1.4629262E-02 13 1.3818265E+02 5.8942486E-02 1.5273458E-01 -9.6825507E-02 -4.9529307E-02 -1.7450907E-02 14 6.8167370E+01 -4.3337967E-03 5.7929531E-01 -5.0733402E-01 -2.5793687E-01 -9.1509361E-02 15 3.3564379E+01 2.5569034E-03 3.9681632E-01 -4.1019651E-01 -2.4386829E-01 -8.9003311E-02 16 1.4353186E+01 -1.3221560E-03 4.8434051E-02 6.2459552E-01 5.2998007E-01 2.0837919E-01 17 7.2336632E+00 6.8497873E-04 -5.6190979E-03 6.9192803E-01 8.0255188E-01 3.3852576E-01 18 2.7885074E+00 -2.8359336E-04 1.6390732E-03 7.2141827E-02 -7.0245975E-01 -4.1263965E-01 19 1.3175266E+00 1.2749050E-04 -7.8497808E-04 -8.0607295E-03 -7.5049424E-01 -5.9889720E-01 20 3.2488872E-01 -3.2585838E-05 1.8502153E-04 1.7420985E-03 -3.2805650E-02 7.6613950E-01 21 1.2658044E-01 1.2254616E-05 -6.7246226E-05 -6.6496925E-04 6.2654931E-03 5.2854959E-01 2p 3p 4p 5p 1 2.5381753E+05 1.3954968E-04 -6.5480743E-05 2.8627414E-05 -8.4395929E-06 2 3.7469968E+04 6.2907747E-04 -2.9633214E-04 1.2925992E-04 -3.8183407E-05 3 8.5427047E+03 3.0588854E-03 -1.4476981E-03 6.3584738E-04 -1.8716736E-04 4 2.5405533E+03 1.4320488E-02 -6.8537900E-03 2.9921906E-03 -8.8561636E-04 5 9.0008666E+02 5.6572907E-02 -2.7599910E-02 1.2215128E-02 -3.5959644E-03 6 3.5840850E+02 1.7173997E-01 -8.7512805E-02 3.8618525E-02 -1.1467639E-02 7 1.5419634E+02 3.5504143E-01 -1.9237881E-01 8.7477298E-02 -2.5785134E-02 8 6.9864870E+01 4.0190929E-01 -2.1733542E-01 9.4937433E-02 -2.8546366E-02 9 3.2230317E+01 1.6864250E-01 1.2651833E-01 -8.1946105E-02 2.7135015E-02 10 1.5010916E+01 1.1372212E-02 5.8802266E-01 -4.1274535E-01 1.2849237E-01 11 7.1847793E+00 1.6437065E-03 3.8215110E-01 -1.6881651E-01 5.2872836E-02 12 3.0168275E+00 -7.9673770E-04 4.1324931E-02 6.4496105E-01 -2.8718445E-01 13 1.2973470E+00 2.3576277E-04 -1.5996568E-03 5.2280095E-01 -1.9433640E-01 14 3.5170722E-01 -7.6554108E-05 4.9994896E-04 3.6600023E-02 5.9154855E-01 15 1.1396545E-01 2.7188542E-05 -1.9216564E-04 -4.2931364E-03 5.6841112E-01 3d 4d 1 1.8014282E+03 7.8109899E-04 -3.1980315E-04 2 5.1072511E+02 7.0355587E-03 -2.9219951E-03 3 1.9181394E+02 3.7268015E-02 -1.5473605E-02 4 8.2052302E+01 1.2882978E-01 -5.4881980E-02 5 3.7828887E+01 2.9119106E-01 -1.2320490E-01 6 1.8029143E+01 4.0636063E-01 -1.6533181E-01 7 8.7722344E+00 2.8754325E-01 -2.6974106E-02 8 4.1427236E+00 7.0620173E-02 3.2908804E-01 9 1.8978754E+00 1.9126212E-03 5.0588758E-01 10 8.2550579E-01 4.7171545E-04 2.8688601E-01 11 2.9852385E-01 -1.5146504E-04 3.8675097E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.7671657E+07 2.3719042E-06 -8.2292594E-07 3.6845254E-07 1.6604582E-07 5.7385892E-08 2 8.8578021E+06 2.0459433E-05 -7.0965800E-06 3.1718193E-06 1.4320387E-06 4.9495791E-07 3 2.1327172E+06 1.0524898E-04 -3.6537708E-05 1.6364667E-05 7.3730408E-06 2.5481214E-06 4 5.9144479E+05 4.5684248E-04 -1.5863343E-04 7.0885586E-05 3.2018305E-05 1.1066826E-05 5 1.8335535E+05 1.7287318E-03 -6.0177309E-04 2.6974956E-04 1.2148929E-04 4.1986503E-05 6 6.2114698E+04 5.8856559E-03 -2.0558671E-03 9.1902365E-04 4.1541813E-04 1.4359437E-04 7 2.2664534E+04 1.8141035E-02 -6.4052319E-03 2.8791260E-03 1.2964380E-03 4.4807387E-04 8 8.8051994E+03 5.0486435E-02 -1.8209427E-02 8.1736036E-03 3.7015354E-03 1.2797942E-03 9 3.6085810E+03 1.2330826E-01 -4.6813367E-02 2.1300044E-02 9.6029870E-03 3.3203553E-03 10 1.5475521E+03 2.4758679E-01 -1.0426400E-01 4.7867314E-02 2.1827671E-02 7.5552522E-03 11 6.8937847E+02 3.5277029E-01 -1.8407161E-01 8.8471380E-02 4.0189596E-02 1.3923943E-02 12 3.1514031E+02 2.6922772E-01 -1.8003761E-01 8.9452664E-02 4.2134280E-02 1.4653312E-02 13 1.3818265E+02 6.0687777E-02 1.5024897E-01 -9.4588084E-02 -4.8371441E-02 -1.7039895E-02 14 6.8167370E+01 -4.4751551E-03 5.7997945E-01 -5.0583970E-01 -2.5698251E-01 -9.1158401E-02 15 3.3564379E+01 2.6340889E-03 3.9819765E-01 -4.1080691E-01 -2.4418922E-01 -8.9116409E-02 16 1.4353186E+01 -1.3598525E-03 4.8736735E-02 6.2400181E-01 5.2903140E-01 2.0797029E-01 17 7.2336632E+00 7.0429421E-04 -5.7165748E-03 6.9264016E-01 8.0281554E-01 3.3862337E-01 18 2.7885074E+00 -2.9059584E-04 1.6942490E-03 7.2111702E-02 -7.0239406E-01 -4.1251988E-01 19 1.3175266E+00 1.3006283E-04 -8.1886897E-04 -8.0077900E-03 -7.5060542E-01 -5.9891963E-01 20 3.2488872E-01 -3.2786805E-05 2.0195577E-04 1.7114626E-03 -3.2817630E-02 7.6613190E-01 21 1.2658044E-01 1.2081293E-05 -7.8087954E-05 -6.4440651E-04 6.2708011E-03 5.2856244E-01 2p 3p 4p 5p 1 2.5381753E+05 1.5504179E-05 -7.2880265E-06 3.2021264E-06 -9.4136093E-07 2 3.7469968E+04 2.3133383E-04 -1.0917727E-04 4.7480198E-05 -1.4055874E-05 3 8.5427047E+03 2.0364263E-03 -9.6257256E-04 4.2335444E-04 -1.2448662E-04 4 2.5405533E+03 1.2185082E-02 -5.8194556E-03 2.5377792E-03 -7.5139774E-04 5 9.0008666E+02 5.2966228E-02 -2.5772304E-02 1.1403869E-02 -3.3561970E-03 6 3.5840850E+02 1.6722213E-01 -8.5018424E-02 3.7495951E-02 -1.1134533E-02 7 1.5419634E+02 3.5147030E-01 -1.9013014E-01 8.6435173E-02 -2.5475364E-02 8 6.9864870E+01 4.0043210E-01 -2.1653243E-01 9.4604283E-02 -2.8448165E-02 9 3.2230317E+01 1.6747319E-01 1.2619635E-01 -8.1608970E-02 2.7022207E-02 10 1.5010916E+01 1.0079169E-02 5.8804279E-01 -4.1247530E-01 1.2839632E-01 11 7.1847793E+00 3.8573597E-04 3.8249280E-01 -1.6906228E-01 5.2960212E-02 12 3.0168275E+00 -1.8089493E-03 4.1415142E-02 6.4478289E-01 -2.8709268E-01 13 1.2973470E+00 -8.2550224E-04 -1.5288724E-03 5.2271806E-01 -1.9431486E-01 14 3.5170722E-01 -1.0264994E-03 5.5971841E-04 3.6476161E-02 5.9156481E-01 15 1.1396545E-01 -7.2800693E-04 -1.4227825E-04 -4.3933954E-03 5.6843288E-01 3d 4d 1 1.8014282E+03 6.5813113E-04 -2.6914718E-04 2 5.1072511E+02 6.6667070E-03 -2.7682841E-03 3 1.9181394E+02 3.6468570E-02 -1.5135238E-02 4 8.2052302E+01 1.2770908E-01 -5.4390130E-02 5 3.7828887E+01 2.9014608E-01 -1.2274172E-01 6 1.8029143E+01 4.0580328E-01 -1.6510399E-01 7 8.7722344E+00 2.8736042E-01 -2.7017254E-02 8 4.1427236E+00 7.0493660E-02 3.2897259E-01 9 1.8978754E+00 1.8169706E-03 5.0584563E-01 10 8.2550579E-01 4.1737260E-04 2.8687412E-01 11 2.9852385E-01 -1.9131510E-04 3.8661184E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.7671657E+07 1.4046833E-04 -4.9500595E-05 2.2199128E-05 1.0016010E-05 3.4610758E-06 2 8.8578021E+06 4.0093462E-04 -1.4129131E-04 6.3199163E-05 2.8540909E-05 9.8653759E-06 3 2.1327172E+06 9.7003765E-04 -3.4307668E-04 1.5407875E-04 6.9500011E-05 2.4015555E-05 4 5.9144479E+05 2.2079131E-03 -7.8145637E-04 3.4977518E-04 1.5801051E-04 5.4626400E-05 5 1.8335535E+05 4.9754938E-03 -1.7717190E-03 7.9762186E-04 3.5968274E-04 1.2429222E-04 6 6.2114698E+04 1.1397509E-02 -4.0743426E-03 1.8277551E-03 8.2630695E-04 2.8567187E-04 7 2.2664534E+04 2.6762770E-02 -9.7009301E-03 4.3827150E-03 1.9767615E-03 6.8364911E-04 8 8.8051994E+03 6.2585437E-02 -2.3201584E-02 1.0460803E-02 4.7387979E-03 1.6383127E-03 9 3.6085810E+03 1.3743060E-01 -5.3771487E-02 2.4569997E-02 1.1082170E-02 3.8321481E-03 10 1.5475521E+03 2.5820864E-01 -1.1219511E-01 5.1773917E-02 2.3643669E-02 8.1859761E-03 11 6.8937847E+02 3.5263136E-01 -1.9024522E-01 9.1863106E-02 4.1756013E-02 1.4468834E-02 12 3.1514031E+02 2.6164594E-01 -1.7983109E-01 8.9580913E-02 4.2255031E-02 1.4701352E-02 13 1.3818265E+02 5.7509563E-02 1.5504295E-01 -9.7988136E-02 -5.0112228E-02 -1.7657659E-02 14 6.8167370E+01 -4.6301777E-03 5.8092925E-01 -5.0921254E-01 -2.5893012E-01 -9.1868006E-02 15 3.3564379E+01 2.5437502E-03 3.9629297E-01 -4.0980565E-01 -2.4377241E-01 -8.8973082E-02 16 1.4353186E+01 -1.3436975E-03 4.8252253E-02 6.2540607E-01 5.3068255E-01 2.0865680E-01 17 7.2336632E+00 6.8657639E-04 -5.6883915E-03 6.9188195E-01 8.0256810E-01 3.3854510E-01 18 2.7885074E+00 -2.8828793E-04 1.6624290E-03 7.2042798E-02 -7.0270271E-01 -4.1277137E-01 19 1.3175266E+00 1.2661959E-04 -7.9477533E-04 -8.0584954E-03 -7.5046037E-01 -5.9888436E-01 20 3.2488872E-01 -3.2586251E-05 1.8510807E-04 1.7451272E-03 -3.2793302E-02 7.6616151E-01 21 1.2658044E-01 1.2150807E-05 -6.7410104E-05 -6.6667383E-04 6.2642536E-03 5.2854483E-01 2p 3p 4p 5p 1 2.5381753E+05 1.5029881E-04 -7.0167693E-05 3.0787467E-05 -9.0488995E-06 2 3.7469968E+04 6.8898489E-04 -3.2382426E-04 1.4071840E-04 -4.1665787E-05 3 8.5427047E+03 3.2603121E-03 -1.5398551E-03 6.7740761E-04 -1.9913079E-04 4 2.5405533E+03 1.4865980E-02 -7.1086737E-03 3.1005406E-03 -9.1821656E-04 5 9.0008666E+02 5.7791370E-02 -2.8184861E-02 1.2477801E-02 -3.6723113E-03 6 3.5840850E+02 1.7368358E-01 -8.8524548E-02 3.9061420E-02 -1.1600730E-02 7 1.5419634E+02 3.5682173E-01 -1.9345325E-01 8.7988115E-02 -2.5934232E-02 8 6.9864870E+01 4.0234520E-01 -2.1769195E-01 9.5096674E-02 -2.8598666E-02 9 3.2230317E+01 1.6836472E-01 1.2707482E-01 -8.2224451E-02 2.7224990E-02 10 1.5010916E+01 1.1312358E-02 5.8840557E-01 -4.1307946E-01 1.2859694E-01 11 7.1847793E+00 1.6332812E-03 3.8208370E-01 -1.6871584E-01 5.2844074E-02 12 3.0168275E+00 -7.9467639E-04 4.1295440E-02 6.4507471E-01 -2.8723953E-01 13 1.2973470E+00 2.3478538E-04 -1.6026353E-03 5.2279070E-01 -1.9432863E-01 14 3.5170722E-01 -7.6438951E-05 5.0081704E-04 3.6594823E-02 5.9155992E-01 15 1.1396545E-01 2.7128804E-05 -1.9245298E-04 -4.2929367E-03 5.6841029E-01 3d 4d 1 1.8014282E+03 8.0673144E-04 -3.2999683E-04 2 5.1072511E+02 7.1384981E-03 -2.9648668E-03 3 1.9181394E+02 3.7547785E-02 -1.5588818E-02 4 8.2052302E+01 1.2930950E-01 -5.5090457E-02 5 3.7828887E+01 2.9168771E-01 -1.2341935E-01 6 1.8029143E+01 4.0661988E-01 -1.6544919E-01 7 8.7722344E+00 2.8755530E-01 -2.6932427E-02 8 4.1427236E+00 7.0598169E-02 3.2917601E-01 9 1.8978754E+00 1.9102161E-03 5.0591695E-01 10 8.2550579E-01 4.7164390E-04 2.8688418E-01 11 2.9852385E-01 -1.5147663E-04 3.8673774E-02 ** Xe 132 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 4.7957833E+07 5.4799081E-05 -1.9125564E-05 8.5945041E-06 3.9184139E-06 1.3971409E-06 2 9.0429274E+06 1.7340879E-04 -6.0708445E-05 2.7279920E-05 1.2444916E-05 4.4373388E-06 3 2.1995941E+06 4.8284936E-04 -1.6982681E-04 7.6419613E-05 3.4840965E-05 1.2423530E-05 4 6.1411788E+05 1.2816460E-03 -4.5354975E-04 2.0405543E-04 9.3152920E-05 3.3216275E-05 5 1.9125895E+05 3.3766373E-03 -1.2046672E-03 5.4346911E-04 2.4775802E-04 8.8354595E-05 6 6.4987619E+04 8.8637069E-03 -3.1911113E-03 1.4383559E-03 6.5741164E-04 2.3443816E-04 7 2.3758919E+04 2.2908807E-02 -8.3657532E-03 3.7900562E-03 1.7276398E-03 6.1621418E-04 8 9.2413859E+03 5.6825803E-02 -2.1238324E-02 9.6172940E-03 4.4053581E-03 1.5713126E-03 9 3.7898848E+03 1.2922355E-01 -5.0797683E-02 2.3301762E-02 1.0633635E-02 3.7948191E-03 10 1.6258088E+03 2.4891943E-01 -1.0827366E-01 5.0110702E-02 2.3113780E-02 8.2523377E-03 11 7.2429231E+02 3.4768925E-01 -1.8630662E-01 9.0163452E-02 4.1449201E-02 1.4825907E-02 12 3.3114798E+02 2.6466011E-01 -1.8029828E-01 8.9967371E-02 4.2829689E-02 1.5349370E-02 13 1.4574504E+02 6.0686675E-02 1.4661644E-01 -9.3529384E-02 -4.8433168E-02 -1.7560897E-02 14 7.1880333E+01 -4.1638352E-03 5.7656485E-01 -5.0524222E-01 -2.6002406E-01 -9.5387807E-02 15 3.5392748E+01 2.5475875E-03 4.0297774E-01 -4.1972150E-01 -2.5213251E-01 -9.4800204E-02 16 1.5157165E+01 -1.3340473E-03 5.0384902E-02 6.1746582E-01 5.3213484E-01 2.1602870E-01 17 7.6670436E+00 7.0205155E-04 -5.9910159E-03 6.9848404E-01 8.2086121E-01 3.6047352E-01 18 2.9877348E+00 -2.9778705E-04 1.7863846E-03 7.5502827E-02 -6.9594490E-01 -4.2873855E-01 19 1.4315331E+00 1.3616782E-04 -8.6135411E-04 -8.5360869E-03 -7.6377708E-01 -6.3295164E-01 20 3.6740073E-01 -3.5077162E-05 2.0637612E-04 1.7990616E-03 -3.4831394E-02 7.8224210E-01 21 1.4401186E-01 1.2877050E-05 -7.2694942E-05 -6.8260458E-04 6.1771015E-03 5.3196522E-01 2p 3p 4p 5p 1 2.8177375E+05 1.3804396E-04 -6.5107048E-05 2.8882509E-05 -8.8744013E-06 2 4.1421288E+04 6.1200926E-04 -2.8980240E-04 1.2828334E-04 -3.9494783E-05 3 9.3685635E+03 2.9295107E-03 -1.3933331E-03 6.2096834E-04 -1.9050348E-04 4 2.7634606E+03 1.3659537E-02 -6.5719953E-03 2.9115358E-03 -8.9821890E-04 5 9.7289404E+02 5.4226402E-02 -2.6566060E-02 1.1930416E-02 -3.6603375E-03 6 3.8562388E+02 1.6634821E-01 -8.5112670E-02 3.8110337E-02 -1.1797045E-02 7 1.6539723E+02 3.4954272E-01 -1.8988069E-01 8.7596332E-02 -2.6913949E-02 8 7.4809418E+01 4.0550157E-01 -2.2229906E-01 9.8900001E-02 -3.1009353E-02 9 3.4569451E+01 1.7709827E-01 1.1121384E-01 -7.4956119E-02 2.6194874E-02 10 1.6078811E+01 1.3392754E-02 5.8438022E-01 -4.1715887E-01 1.3577421E-01 11 7.7064841E+00 1.4815747E-03 3.9423008E-01 -1.8440268E-01 6.0869060E-02 12 3.2441879E+00 -7.5237772E-04 4.4670205E-02 6.4405870E-01 -3.0499766E-01 13 1.4163881E+00 2.2558750E-04 -1.9994196E-03 5.2778904E-01 -2.0559067E-01 14 3.9820534E-01 -7.5925017E-05 6.0934465E-04 3.7010190E-02 6.0849796E-01 15 1.3022223E-01 2.5457724E-05 -2.0227049E-04 -4.9891095E-03 5.5833852E-01 3d 4d 1 1.9595965E+03 7.3174625E-04 -3.0777733E-04 2 5.5367274E+02 6.5994775E-03 -2.8147773E-03 3 2.0764596E+02 3.5268128E-02 -1.5041859E-02 4 8.8821723E+01 1.2341150E-01 -5.3983752E-02 5 4.0992534E+01 2.8387822E-01 -1.2361741E-01 6 1.9581620E+01 4.0490480E-01 -1.7002868E-01 7 9.5610705E+00 2.9614078E-01 -3.7562215E-02 8 4.5482515E+00 7.6670937E-02 3.2279253E-01 9 2.1052478E+00 2.4583678E-03 5.1118890E-01 10 9.2704406E-01 4.6951284E-04 2.8756195E-01 11 3.3924233E-01 -1.6020950E-04 3.8212840E-02 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 4.7957833E+07 2.4549743E-06 -8.5504293E-07 3.8436362E-07 1.7510926E-07 6.2437240E-08 2 9.0429274E+06 2.0995000E-05 -7.3109719E-06 3.2807360E-06 1.4973448E-06 5.3386095E-07 3 2.1995941E+06 1.0683079E-04 -3.7230520E-05 1.6741557E-05 7.6253856E-06 2.7189544E-06 4 6.1411788E+05 4.6009798E-04 -1.6039754E-04 7.1961897E-05 3.2858049E-05 1.1715078E-05 5 1.9125895E+05 1.7306315E-03 -6.0477159E-04 2.7217558E-04 1.2392548E-04 4.4189111E-05 6 6.4987619E+04 5.8666721E-03 -2.0574023E-03 9.2341955E-04 4.2193932E-04 1.5043971E-04 7 2.3758919E+04 1.8025784E-02 -6.3885693E-03 2.8830702E-03 1.3124782E-03 4.6805518E-04 8 9.2413859E+03 5.0061079E-02 -1.8122850E-02 8.1675405E-03 3.7388959E-03 1.3333260E-03 9 3.7898848E+03 1.2217620E-01 -4.6516302E-02 2.1247552E-02 9.6850397E-03 3.4556653E-03 10 1.6258088E+03 2.4559782E-01 -1.0360232E-01 4.7748760E-02 2.2008879E-02 7.8564554E-03 11 7.2429231E+02 3.5160155E-01 -1.8312077E-01 8.8318153E-02 4.0568242E-02 1.4508725E-02 12 3.3114798E+02 2.7117755E-01 -1.8081602E-01 9.0133004E-02 4.2894070E-02 1.5371716E-02 13 1.4574504E+02 6.2557088E-02 1.4402390E-01 -9.1202882E-02 -4.7215944E-02 -1.7115042E-02 14 7.1880333E+01 -4.3056231E-03 5.7722219E-01 -5.0363547E-01 -2.5898875E-01 -9.4994182E-02 15 3.5392748E+01 2.6278608E-03 4.0444581E-01 -4.2035594E-01 -2.5246584E-01 -9.4921529E-02 16 1.5157165E+01 -1.3738449E-03 5.0706296E-02 6.1682277E-01 5.3110795E-01 2.1557067E-01 17 7.6670436E+00 7.2281945E-04 -6.0917335E-03 6.9924183E-01 8.2114456E-01 3.6058028E-01 18 2.9877348E+00 -3.0556289E-04 1.8436193E-03 7.5471214E-02 -6.9586780E-01 -4.2859903E-01 19 1.4315331E+00 1.3911494E-04 -8.9667673E-04 -8.4780370E-03 -7.6389999E-01 -6.3297803E-01 20 3.6740073E-01 -3.5361591E-05 2.2377004E-04 1.7657478E-03 -3.4845355E-02 7.8223367E-01 21 1.4401186E-01 1.2724072E-05 -8.3552021E-05 -6.6073195E-04 6.1831319E-03 5.3198003E-01 2p 3p 4p 5p 1 2.8177375E+05 1.4397865E-05 -6.8014054E-06 3.0324772E-06 -9.2904185E-07 2 4.1421288E+04 2.1391267E-04 -1.0152389E-04 4.4801249E-05 -1.3824834E-05 3 9.3685635E+03 1.8981612E-03 -9.0164140E-04 4.0243494E-04 -1.2331885E-04 4 2.7634606E+03 1.1487298E-02 -5.5153012E-03 2.4405058E-03 -7.5321128E-04 5 9.7289404E+02 5.0521687E-02 -2.4682991E-02 1.1082391E-02 -3.3991013E-03 6 3.8562388E+02 1.6164277E-01 -8.2510029E-02 3.6922041E-02 -1.1429467E-02 7 1.6539723E+02 3.4574836E-01 -1.8749026E-01 8.6472330E-02 -2.6565583E-02 8 7.4809418E+01 4.0391099E-01 -2.2140161E-01 9.8516026E-02 -3.0891115E-02 9 3.4569451E+01 1.7589872E-01 1.1087957E-01 -7.4600548E-02 2.6070169E-02 10 1.6078811E+01 1.2037839E-02 5.8437896E-01 -4.1685149E-01 1.3565983E-01 11 7.7064841E+00 1.6951327E-04 3.9459477E-01 -1.8466397E-01 6.0966311E-02 12 3.2441879E+00 -1.8113388E-03 4.4766098E-02 6.4386373E-01 -3.0489071E-01 13 1.4163881E+00 -8.6498574E-04 -1.9276902E-03 5.2770573E-01 -2.0556904E-01 14 3.9820534E-01 -1.0527295E-03 6.6955743E-04 3.6880204E-02 6.0851508E-01 15 1.3022223E-01 -7.9188751E-04 -1.4908231E-04 -5.1001733E-03 5.5836312E-01 3d 4d 1 1.9595965E+03 6.0899638E-04 -2.5584300E-04 2 5.5367274E+02 6.2269399E-03 -2.6553408E-03 3 2.0764596E+02 3.4450769E-02 -1.4686608E-02 4 8.8821723E+01 1.2224433E-01 -5.3457740E-02 5 4.0992534E+01 2.8276696E-01 -1.2311028E-01 6 1.9581620E+01 4.0429583E-01 -1.6977031E-01 7 9.5610705E+00 2.9594206E-01 -3.7603333E-02 8 4.5482515E+00 7.6537821E-02 3.2266412E-01 9 2.1052478E+00 2.3551522E-03 5.1114224E-01 10 9.2704406E-01 4.1039204E-04 2.8754957E-01 11 3.3924233E-01 -2.0454950E-04 3.8196802E-02 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 4.7957833E+07 1.4902434E-04 -5.2729712E-05 2.3741196E-05 1.0829651E-05 3.8612353E-06 2 9.0429274E+06 4.2181088E-04 -1.4926788E-04 6.7044146E-05 3.0604818E-05 1.0911195E-05 3 2.1995941E+06 1.0126486E-03 -3.5961823E-04 1.6214088E-04 7.3945321E-05 2.6366732E-05 4 6.1411788E+05 2.2873166E-03 -8.1308317E-04 3.6544323E-04 1.6687030E-04 5.9497478E-05 5 1.9125895E+05 5.1113106E-03 -1.8281658E-03 8.2626497E-04 3.7673215E-04 1.3434540E-04 6 6.4987619E+04 1.1598528E-02 -4.1661504E-03 1.8767910E-03 8.5764438E-04 3.0578794E-04 7 2.3758919E+04 2.6977619E-02 -9.8254537E-03 4.4570177E-03 2.0325635E-03 7.2542878E-04 8 9.2413859E+03 6.2602162E-02 -2.3318730E-02 1.0558254E-02 4.8348266E-03 1.7238859E-03 9 3.7898848E+03 1.3681247E-01 -5.3743470E-02 2.4657628E-02 1.1245351E-02 4.0130440E-03 10 1.6258088E+03 2.5667846E-01 -1.1185073E-01 5.1826516E-02 2.3924106E-02 8.5422137E-03 11 7.2429231E+02 3.5160794E-01 -1.8956564E-01 9.1866857E-02 4.2226701E-02 1.5104604E-02 12 3.3114798E+02 2.6333637E-01 -1.8068797E-01 9.0316348E-02 4.3043868E-02 1.5431582E-02 13 1.4574504E+02 5.9172731E-02 1.4900034E-01 -9.4730908E-02 -4.9040437E-02 -1.7782381E-02 14 7.1880333E+01 -4.4761219E-03 5.7830441E-01 -5.0722311E-01 -2.6108600E-01 -9.5785036E-02 15 3.5392748E+01 2.5304826E-03 4.0244401E-01 -4.1933856E-01 -2.5204482E-01 -9.4771455E-02 16 1.5157165E+01 -1.3558711E-03 5.0187658E-02 6.1833080E-01 5.3288918E-01 2.1633604E-01 17 7.6670436E+00 7.0312448E-04 -6.0645439E-03 6.9843938E-01 8.2088597E-01 3.6049984E-01 18 2.9877348E+00 -3.0256731E-04 1.8116234E-03 7.5395864E-02 -6.9621069E-01 -4.2888926E-01 19 1.4315331E+00 1.3511226E-04 -8.7202424E-04 -8.5341335E-03 -7.6374125E-01 -6.3293735E-01 20 3.6740073E-01 -3.5053469E-05 2.0643225E-04 1.8026260E-03 -3.4816863E-02 7.8226804E-01 21 1.4401186E-01 1.2755920E-05 -7.2849476E-05 -6.8459310E-04 6.1755060E-03 5.3195962E-01 2p 3p 4p 5p 1 2.8177375E+05 1.4832370E-04 -6.9580784E-05 3.0976639E-05 -9.4876058E-06 2 4.1421288E+04 6.7149658E-04 -3.1729648E-04 1.3991956E-04 -4.3185279E-05 3 9.3685635E+03 3.1327957E-03 -1.4867791E-03 6.6370845E-04 -2.0331413E-04 4 2.7634606E+03 1.4210904E-02 -6.8313647E-03 3.0234680E-03 -9.3334601E-04 5 9.7289404E+02 5.5465541E-02 -2.7162837E-02 1.2202325E-02 -3.7426607E-03 6 3.8562388E+02 1.6835576E-01 -8.6161034E-02 3.8575949E-02 -1.1942950E-02 7 1.6539723E+02 3.5143121E-01 -1.9101619E-01 8.8143138E-02 -2.7080248E-02 8 7.4809418E+01 4.0600690E-01 -2.2271366E-01 9.9090009E-02 -3.1074047E-02 9 3.4569451E+01 1.7680774E-01 1.1178776E-01 -7.5246414E-02 2.6293042E-02 10 1.6078811E+01 1.3325166E-02 5.8480094E-01 -4.1752747E-01 1.3589494E-01 11 7.7064841E+00 1.4694814E-03 3.9416288E-01 -1.8429917E-01 6.0838622E-02 12 3.2441879E+00 -7.4985568E-04 4.4636925E-02 6.4418471E-01 -3.0506238E-01 13 1.4163881E+00 2.2439296E-04 -2.0027470E-03 5.2777795E-01 -2.0558124E-01 14 3.9820534E-01 -7.5776462E-05 6.1037314E-04 3.7004074E-02 6.0851132E-01 15 1.3022223E-01 2.5385619E-05 -2.0261364E-04 -4.9888438E-03 5.5833743E-01 3d 4d 1 1.9595965E+03 7.5730424E-04 -3.1823402E-04 2 5.5367274E+02 6.7022611E-03 -2.8586958E-03 3 2.0764596E+02 3.5551716E-02 -1.5161841E-02 4 8.8821723E+01 1.2390694E-01 -5.4204616E-02 5 4.0992534E+01 2.8440598E-01 -1.2385221E-01 6 1.9581620E+01 4.0519136E-01 -1.7016198E-01 7 9.5610705E+00 2.9615969E-01 -3.7521931E-02 8 4.5482515E+00 7.6646159E-02 3.2289052E-01 9 2.1052478E+00 2.4554739E-03 5.1122272E-01 10 9.2704406E-01 4.6939502E-04 2.8755957E-01 11 3.3924233E-01 -1.6021475E-04 3.8211321E-02 Exponents of diffuse functions ------------------------------ s p d In 1.9979125E-02 1.2854967E-02 4.3708469E-02 Sn 2.6662338E-02 1.8707411E-02 6.0986792E-02 Sb 3.2725076E-02 2.3910026E-02 7.9875489E-02 Te 3.8694548E-02 2.8162253E-02 1.0038750E-01 I 4.5649007E-02 3.3822833E-02 1.2323763E-01 Xe 5.3853371E-02 4.0621183E-02 1.5128889E-01 Exponents of polarizing f functions for the (n-1)d shell -------------------------------------------------------- In 5.8178958E-01 Sn 7.2704191E-01 Sb 8.8518077E-01 Te 1.0494999E+00 I 1.2169350E+00 Xe 1.3844668E+00 Exponents of correlating functions ---------------------------------- d(val) f(4d) f(3d) In 1.4918599E-01 1.7289618E+00 2.0076579E+01 Sn 1.8441736E-01 1.9659948E+00 2.1302998E+01 Sb 2.2121915E-01 2.2030279E+00 2.2565780E+01 Te 2.5933568E-01 2.4400610E+00 2.3864978E+01 I 2.9849758E-01 2.6770940E+00 2.5200734E+01 Xe 3.3924233E-01 2.9141271E+00 2.6573244E+01